Curriculum Vitae

Personal Data: *1947 in Hamburg, 2nd marriage, 3 children, 6 grandchildren

Work address: Freie Universität Berlin, Institute for Chemistry und Biochemie

Chinese Pseudonym: Yuan Man

Professional Activities

Scholarships and Awards

Education

Last revision: 2024-04-22 (Burkhard Schmidt)

Habilitation Theses

• González, Leticia
  Analysis and Control of Unimolecular Chemical Reactions by Quantum Simulations
  December 2004
• Kühn, Oliver
  Dynamics and Spectroscopy of Molecular Systems from Chemistry and Biology
  December 2000
• Schmidt, Burkhard
  Making and Breaking of Chemical Bonds:  Dynamics of elementary reactions from gas phase to condensed phase
  July 1998
• de Vivie-Riedle, Regina
  Theoretisch-chemische Untersuchungen zur Spektroskopie und Dynamik kleiner Moleküle und Cluster
  March 1997
• Saalfrank, Peter
  Theoretical Chemistry in two Dimensions: Energetics and Quantum dynamics in Layered Materials and Adsorbate Systems
  July 1996

Ph. D. Theses

• Jia, Dongming
  Quantum Dynamics Simulations of Ultrafast Electronic Flux in Molecules Induced by Laser
  May 2020 (Shanxi University Taiyuan), coadvised by Yonggang Yang
• Schild, Axel
  Electron Fluxes During Chemical Processes in the Electronic Ground State
  September 2013, coadvised by B. Paulus, FUB
• Bredtmann, Timm
  Electron-Nuclear Quantum Fluxes in Adiabatic Chemical Processes
  September 2013, coadvised by B. Paulus, FUB
• Accardi, Antonio
  Quantum Mechanical Studies of Small Molecular Systems in Cryogenic Environments
  December 2012, coadvised by O. Kühn, Universität Rostock, and by B. Schmidt, FUB
• Al-Jabour, Salih
  Molecular Symmetry, Quantum Chemistry and Dynamics: Simulation of Laser Driven Molecular Torsion in the Presence of a Conical Intersection
  February 2011, coadvised by O. Deeb, Al-Quds University, and by M. Leibscher, FUB
• Barth, Ingo
  Quantum control of electron and nuclear circulations, ring currents, and induced magnetic fields in atoms, ions, and molecules by circularly polarized laser pulses
  June 2009
  Carl-Ramsauer award 2009 (Physikalische Gesellschaft zu Berlin e.V.)
  Wilhelm-Ostwald young talent award 2010 (The Wilhelm-Ostwald-Gesellschaft zu Großbothen, WOG, the German Chemical Society, GDCh, and the German Bunsen Society for Physical Chemistry, DBG)
• Shibl, Mohamed F.
  Mechanisms of Double Proton Tautomerization and Quantum Control of Tautomerism in Enantiomers by Light
  November 2006, coadvised by L. González
• Elghobashi, Nadia
  Theory of using few-cycle IR and UV laser pulses to control the orientation and selective dissociation of hydrogen-bonded anions
  October 2005, coadvised by L. González
• Schröder, Maike
  Theoretical Investigation of the Ultrafast Photodissociation Dynamics of Diatomic Molecules in a Rare Gas Environment
  September 2004, coadvised by O. Kühn
• Kröner, Dominik
  Theory of Selective Preparation of Enantiomers by Laser Pulses
  June 2003, coadvised by L. González
• Full, Jürgen
  Ultrafast Photodissociation dynamics of η5-CpMn(CO)3 (Cymantrene): Theory for Analaysis and Control
  October 2002, coadvised by L. González
• Proppe, Boris
  Modellierung der dualen Fluoreszenz von 1-Phenylpyrrol infolge von Torsion und Elektronentransfer in polarer Lösung
  February 2001, coadvised by B. Schmidt
• Andrianov, Ivan
  Simulations of Ultrafast Photoinduced Wave Packet Dynamics in Three Dimensions
  December 1999
• Sundermann, Karsten
  Parallele Algorithmen zur Quantendynamik und optimalen Laserpulskontrolle chemischer Reaktionen
  September 1998, coadvised by R. de Vivie-Riedle
• Backhaus, Peter
  Theoretische Untersuchung zur Laserpuls-induzierten Stabilisierung von Stoßkomplexen
  July 1998, coadvised by B. Schmidt
• Oppel, Markus
  Quantenchemische und quantendynamische Rechnungen zur
  Schwingungsanregung und Photodissoziation von HNO3 durch ultrakurze Laserpulse
  April 1998
• Finger, Karin
  From Photodissociation of Transition Metal Complexes to Photodesorption of Neutrals from Metals: Quantum Chemical and Quantum Dynamical Calculations on HMn(CO)3(dad) and NO/Pt(111)
  November 1996, coadvised by C. Daniel, Université Strasbourg, and by P. Saalfrank, FUB
• Lehr, Lucia
  Theorie zur Streuung von langsamen Elektronen an CF3Cl-Molekülen
  April 1996
• Reischl, Birgit
  Quantentheorie zur Schwingungsstruktur und -dynamik des pseudorotierenden Na3(B)
  June 1995, coadvised by R. de Vivie-Riedle
  Joachim-Tiburtius award 1996 (Senate of Berlin)
• Brackhagen, Olaf
  Modellrechnungen zur Quantendynamik des Wasserstofftransfers im Porphinanion
  August 1994
• Just, Bettina
  Modellrechnungen zur Optimierung von Laserpulsen für selektive Schwingungsanregungen und Isomerisierungen
  1993
• Görtler, Stefan
  Zur Spektroskopie des Übergangszustandes von Laser-kontrollierten Isomerisierungsreaktionen: Modellrechnungen für die Cope-Umlagerung vom substituierten Semibullvalen
  1993
• Warmuth, Brigitte Margarete
  Ab-initio Rechnungen zu Potentialenergieflächen und Modellierung der Reaktionsdynamik metallorganischer Moleküle
  1993, coadvised by C. Daniel, Université Strasbourg
• Kolba, Elke
  Ultrakurze molekulare Zwei-Photonen-Prozesse: Modellrechnungen zur Spektroskopie und Laserkontrolle der Reaktionsdynamik zweiatomiger und metallorganischer Moleküle
  1991, coadvised by C. Daniel, Université Strasbourg
• Hartke, Bernd
  Modellrechnungen an kleinen Molekülen zur Spektroskopie und zur Dynamik femtochemischer Elementarprozesse durch FFT-Propagation repräsentativer Wellenpakete
  1990
• Karrlein, Wolfgang
  Computersimulation zur Modenselektivität in einfachen und komplexen chemischen Modellsystemen
  1990
• Schreier, Hans-Jürgen
  Modellrechnungen zur selektiven Schwingungsanregung durch optimierte Laserpulse
  1990
• Freyer, Christian V.
  Kationische Polymerisation von Vinylmonomeren - Experimentelle und theoretische Untersuchung von Reaktionsmechanismen
  1989, coadvised by Oskar Nuyken, Macromolecular Chemistry, Technical University Munich
• Reuschel, Gerhard
  Computergestützte Synthese eines Polythioethers auf der Grundlage einer isofunktionellen Modellreaktion
  1986, coadvised by Oskar Nuyken, Macromolecular Chemistry, Technical University Munich

Diploma/Master-Theses

• Schild, Axel
  Attosecond Electron Impact Dynamics: Quantum Model Simulation for e- + H2+
  September 2009
• Gordesch, Robert
  Berechnung der Schrödingergleichung für das Wasserstoffatom im Laserfeld mit Hilfe von finiten Elementen
  January 2009
• Krause, Pascal
  Quantendynamische Rechnungen zur impulsiven Schwingungsanregung und der impulsgesteuerten Dissoziationskontrolle von HOD
  December 2002
• Ambrosek, David
  Quantum Simulations of Attosecond Molecular Dynamics Induced by Neutron Compton Scattering
  Oktober 2002
• Elghobashi, Nadia
  Quantum Dynamic Calculations of Bond Selective Vibrational Excitation of HOD via Ultrashort IR Laser Pulses
  January 2002
• Full, Jürgen
  Quantenchemische Rechnungen zur Photochemie von HNO3
  April 1999
• Proppe, Boris
  Modellrechnungen zu Torsionsspektren und -dynamik von 9-(N-Carbazolyl)-Anthracen
  June 1995
• Scheurer, Christoph
  Modellrechnung zur Quantendynamik und Infrarotspektroskopie des Wasserstofftransfers im Benzoesäure-Dimer
  March 1995
• Dohle, Michael
  Zur Spektroskopie des Übergangszustandes bei ein laserkontrollierten Isomerisierung:
  Quantendynamische Modellsimulation zur Cope-Umlagerung von 5-Methyl-1-ethyl-2,6-dicyano-semibullvalen 
  September 1994

Bachelor Theses

• Stemmle, Christian
  Kernflußdichten bei der Cope-Umlagerung von Semibullvalen
  June 2012

• Pohl, Vincent
  Pump-Dump-Laserpuls-Design zur Initiierung einer perizyklischen Modellreaktion
  July 2011

• Schild, Axel
  Das Zellenmodell für das Wasserstoffmolekül im para-H2-Kristall
  August 2007

Last revision: 2024-04-15 (Burkhard Schmidt)

Cooperation partners

Talks and posters

Last revision: 2024-05-17 (Burkhard Schmidt)

List of publications

1. J. Manz and W. Stocker: On a Tensor Force Addition to the Modified Surface-Delta Interaction, Phys. Lett. B 30, 631-633 (1969). DOI:10.1016/0370-2693(69)90079-3
2. J. Manz: Collision Hamiltonian for Non-Linear Molecules, Molec. Phys. 21, 641-655 (1971). DOI:10.1080/00268977100101811
3. J. Manz: Model Calculation on Branched Chemical Reactions, Chem. Phys. Lett. 15, 136-140 (1972). DOI:10.1016/0009-2614(72)87036-2
4. X. Chapuisat and J. Manz: A Closed-form Solution of the Schrödinger Equation describing the Harmonic Oscillator with Time Dependent Frequency and Acted on by a Time Dependent Perturbative Force, Molec. Phys. 26, 1577-1578 (1973). DOI:10.1080/00268977300102761
5. J. Manz: The Relation of Chemical Potentials and Reactivity Studied by a State Path Sum. I. Formal Theory, Molec. Phys. 28, 399-413 (1974). DOI:10.1080/00268977400102931
6. J. N. L. Connor, W. Jakubetz and J. Manz: Exact Quantum Transition Probabilities by the State Path Sum Method: Collinear F+H₂ Reaction, Molec. Phys. 29, 347-355 (1975). DOI:10.1080/00268977500100291
7. J. Manz: On the Quasiclassical Approach to Collision Theory, Chem. Phys. Lett. 31, 242-244 (1975). DOI:10.1016/0009-2614(75)85011-1
8. J. Manz: The Relation of Chemical Potentials and Reactivity Studied by a State Path Sum. II. Dynamical Effects on Two Exothermic Potentials, Molec. Phys. 30, 899-910 (1975). DOI:10.1080/00268977500102441
9. R. D. Levine and J. Manz: The Effect of Reagent Energy on Chemical Reaction Rates: An Information Theoretic Analysis, J. Chem. Phys. 63, 4280-4303 (1975). DOI:10.1063/1.431198
10. H. Kaplan, R. D. Levine and J. Manz: The Dependence of the Reaction Rate Constant on Reagent Excitation: The Implications of Detailed Balance, Chem. Phys. 12, 447-461 (1976). DOI:10.1016/0301-0104(76)87083-8
11. J. N. L. Connor, W. Jakubetz and J. Manz: Exact Quantum Mechanical Transition Probabilities for the Collinear Reaction H+F₂(v=0) → HF(v'≤11) + F, Chem. Phys. Lett. 39, 75-78 (1976). DOI:10.1016/0009-2614(76)85200-1
12. J. Manz: On the Information Theoretic Prediction of Collision Probabilities Using Approximate Dynamic Constraints, Chem. Phys. 14, 385-391 (1976). DOI:10.1016/0301-0104(76)80135-8
13. H. Kaplan, R. D. Levine and J. Manz: Microscopic Reversibility and Probability Matrices for Molecular Collisions. An Information Theoretic Synthesis, Molec. Phys. 31, 1765-1782 (1976). DOI:10.1080/00268977600101401
14. J. N. L. Connor, W. Jakubetz and J. Manz: Information Theoretic Analysis and Collinear to Three-Dimensional Transformation of Reaction Probabilities for F+H₂, H + F₂, H+Cl₂ and D+Cl₂, Chem. Phys. 17, 451-469 (1976). DOI:10.1016/S0301-0104(76)80009-2
15. J. N. L. Connor, W. Jakubetz and J. Manz: A Numerical Study of Centrifugal Effects on Vibrational Excitation in a Simplistic Model Reaction, Chem. Phys. Lett. 44, 516-520 (1976). DOI:10.1016/0009-2614(76)80718-X
16. J. N. L. Connor, W. Jakubetz and J. Manz: Muonium Chemistry: Quantum Mechanical Calculations for the Collinear Reaction Mu+F₂ (v=0) → MuF(v'≤ 3) + F, Chem. Phys. Lett. 45, 265-270 (1977). DOI:10.1016/0009-2614(77)80266-2
17. D. J. Diestler and J. Manz: Model for Vibrational Dephasing of Diatomic Molecules in Liquids. Liquid N₂ and O₂, Molec. Phys. 33, 227-244 (1977). DOI:10.1080/00268977700103181
18. J. N. L. Connor, W. Jakubetz and J. Manz: Vibrotational Energy Distribution of Light-Heavy-Heavy Atom Reactions, Ber. Bunsenges. Phys. Chem. 81, 165-166 (1977). DOI:10.1002/bbpc.19770810218
19. J. Manz: Cascades of Energy among the Vibrational Levels of Diatomic Molecules Trapped in a Rare Gas Matrix: With Application to ¹²C¹⁶O(ν) in Ar, Chem. Phys. 24, 51-64 (1977). DOI:10.1016/0301-0104(77)85078-7
20. J. Manz: The Temperature Dependence of the Time Evolution of the Vibrational Populations of ¹²C¹⁶O Molecules Imbedded in an Argon Matrix, Chem. Phys. Lett. 51, 477-480 (1977). DOI:10.1016/0009-2614(77)85404-3
21. A. Blumen, J. Manz and V. Yakhot: Diatomic Molecules in a Rare Gas Matrix: Vibrational Energy Accumulation in CO Isotopes Imbedded in Argon, Chem. Phys. 26, 287-293 (1977). DOI:10.1016/0301-0104(77)87053-5
22. J. N. L. Connor, W. Jakubetz and J. Manz: Isotope Effects in the Reaction X+F₂ → XF+F (X=Mu, H, D, T): A Quantum Mechanical and Information Theoretic Investigation, Chem. Phys. 28, 219-230 (1978). DOI:10.1016/0301-0104(78)85053-8
23. J. N. L. Connor, W. Jakubetz and J. Manz: The F+H₂ (v=0) → FH(v'≤3) + H Reaction: Quantum Collinear Reaction Probabilities on Three Different Potential Energy Surfaces, Molec. Phys. 35, 1301-1323 (1978). DOI:10.1080/00268977800100971
24. A. Blumen, S. H. Lin and J. Manz: Theory of Vibrational Energy Transfer Among Diatomic Molecules in Inert Matrices, J. Chem. Phys. 69, 881-896 (1978). DOI:10.1063/1.436604
25. R. D. Levine and J. Manz: Information Theoretic Investigation of Vibrationally Excited Diatomic Molecules in an Inert Matrix, Chem. Phys. 33, 151-160 (1978). DOI:10.1016/0301-0104(78)87080-3
26. a) J. N. L. Connor, A. Laganà, J. C. Whitehead, W. Jakubetz and J. Manz: Uni- and Bimodal Product Energy Distributions for the Reactions H+Cl₂(v=1) and D+Cl₂(v=1), Chem. Phys. Lett. 62, 479-482 (1979). DOI:10.1016/0009-2614(79)80745-9
    b) J. N. L. Connor, W. Jakubetz, A. Laganà, J. Manz and J. C. Whitehead: Comments on Uni- and Bimodal Product Energy Distributions for Hydrogen Atom plus Halogen Molecule Reactions, Disc. Faraday Chem. Soc. 67, 120-122; 123-124 (1979).
27. J. N. L. Connor, W. Jakubetz, J. Manz and J. C. Whitehead: On the Information Theoretic Synthesis of Three Dimensional Vibrotational Reaction Probabilities from Collinear Results, Chem. Phys. 39, 395-406 (1979). DOI:10.1016/0301-0104(79)80157-3
28. A. Blumen and J. Manz: On the Concentration and Time Dependence of the Energy Transfer to Randomly Distributed Acceptors, J. Chem. Phys. 71, 4694-4702 (1979). DOI:10.1063/1.438253
29. J. Manz and K. Mirsky: The Geometry and Vibrational Frequency Shift of CO Molecules in an Argon Matrix Studied by Force-Field Calculations, Chem. Phys. 46, 457-468 (1980). DOI:10.1016/0301-0104(80)85221-9
30. J. N. L. Connor, W. Jakubetz and J. Manz: Quantum Collinear Reaction Probabilities for Vibrationally Excited Reactants: F+H₂(v ≤ 2) → FH(v' ≤ 5) + H, Molec. Phys. 39, 799-816 (1980). DOI:10.1080/00268978000100701
31. J. Manz: Rotating Molecules Trapped in Pseudorotating Cages, J. Am. Chem. Soc. 102, 1801-1806 (1980). DOI:10.1021/ja00526a007
32. J. Manz: Energy Accumulation by Migration to Geometric Trap Configurations of Randomly Distributed Molecules, Chem. Phys. Lett. 72, 59-62 (1980). DOI:10.1016/0009-2614(80)80240-5
33. J. N. L. Connor, W. Jakubetz, J. Manz and J. C. Whitehead: The Reaction X+Cl₂ → XCl + Cl (X=Mu,H,D) I. A New Inversion Procedure for Obtaining Potential Energy Surfaces from Experimental Detailed and Total Rate Coefficient Data, J. Chem. Phys. 72, 6209-6226 (1980). DOI:10.1063/1.439080
34. G. Hauke, J. Manz and J. Römelt: Collinear Triatomic Reactions Described by Polar Delves Coordinates, J. Chem. Phys. 73, 5040-5044 (1980). DOI:10.1063/1.439980
35. J. Manz and J. Römelt: Collinear Light Atom Exchange Reactions Evaluated by S-Matrix Propagation Along Delves' Radial Coordinate, Chem. Phys. Lett. 76, 337-340 (1980). DOI:10.1016/0009-2614(80)87036-9
36. J. Manz and J. Römelt: Dissociative Collinear Reactions Evaluated by S-Matrix Propagation Along Delves' Radial Coordinate, Chem. Phys. Lett. 77, 172-175 (1981). DOI:10.1016/0009-2614(81)85622-9
37. A. Blumen, J. Manz and G. Zumofen: Dynamics of Nonrandom Energy Accumulation via Excitation Transfer in Random Systems, Nuovo Cim. B 63, 59-67 (1981). DOI:10.1007/BF02721412
38. J. Manz and J. Römelt: On the Collinear I+HI and I+MuI Reactions, Chem. Phys. Lett. 81, 179-184 (1981). DOI:10.1016/0009-2614(81)80231-X
39. F. J. Comes, K. H. Gericke and J. Manz: Energy Partitioning in the Reaction ¹⁶O(¹D) + H₂¹⁸O → ¹⁶OH + ¹⁸OH IV. Microscopic Probabilities for ¹⁶OH + ¹⁸OH Coincident Pairs, J. Chem. Phys. 75, 2853-2863 (1981). DOI:10.1063/1.442358
40. J. Manz, E. Pollak and J. Römelt: A Classical Analysis of Quantum Resonances in Isotopic Collinear H+H₂ Reactions, Chem. Phys. Lett. 86, 26-32 (1982). DOI:10.1016/0009-2614(82)83110-2
41. J. N. L. Connor, W. Jakubetz, A. Laganà, J. Manz and J. C. Whitehead: The Reaction X+Cl₂ → XCl+Cl(X=Mu,H,D) II. Comparison of Experimental Data with Theoretical Results Derived from a New Potential Energy Surface, Chem. Phys. 65, 29-48 (1982). DOI:10.1016/0301-0104(82)85053-2
42. J. Manz, R. Meyer, E. Pollak and J. Römelt: A New Possibility of Chemical Bonding: Vibrational Stabilization of IHI, Chem. Phys. Lett. 93, 184-187 (1982). DOI:10.1016/0009-2614(82)83689-0
43. a) C. Hiller, J. Manz, W. H. Miller and J. Römelt: Oscillating Reactivity of Collinear Symmetric Heavy+Light Heavy Atom Reactions, J. Chem. Phys. 78, 3850-3856 (1983). DOI:10.1063/1.445162
    b) D. K. Bondi, J. N. L. Connor, J. Manz and J. Römelt: Delves' Coordinates - A Universal Tool for Quantum Calculations of Collinear Reactions, Ber. Bunsenges. Phys. Chem. 86, 466 (1982).
44. J. Manz, R. Meyer and J. Römelt: On Vibrational Bonding of IHI, Chem. Phys. Lett. 96, 607-612 (1983). DOI:10.1016/0009-2614(83)80058-X
45. D. K. Bondi, J. N. L. Connor, J. Manz and J. Römelt: Exact Quantum and Vibrationally Adiabatic Quantum, Semiclassical and Quasiclassical Study of the Collinear Reactions Cl+MuCl, Cl+HCl, Cl+DCl, Molec. Phys. 50, 467-488 (1983). DOI:10.1080/00268978300102491
46. J. Manz, R. Meyer, E. Pollak, J. Römelt and H. H. R. Schor: On Spectroscopic Properties and Isotope Effects of Vibrationally Stabilized Molecules, Chem. Phys. 83, 333-343 (1984). DOI:10.1016/0301-0104(84)85009-0
47. J. Manz, R. Meyer and H. H. R. Schor: Interplay of Vibrational and Van-der-Waals Type Bonding, J. Chem. Phys. 80, 1562-1568 (1984). DOI:10.1063/1.446852
48. J. Manz and H. H. R. Schor: Hyperspherical Modes, Chem. Phys. Lett. 107, 542-548 (1984). DOI:10.1016/S0009-2614(84)85153-2
49. J. Manz and H. H. R. Schor: Evaluation of Dominant Reaction Probabilities for Collinear Hydrogen-Transfer Reactions, Chem. Phys. Lett. 107, 549-554 (1984). DOI:10.1016/S0009-2614(84)85154-4
50. J. Manz and J. Römelt: Schwingungsbindung, Nachr. Chem. Techn. Lab. 33, 210-213 (1985).
51. R. H. Bisseling, R. Kosloff, J. Manz and H. H. R. Schor: Mode Specific Resonance Decay, Ber. Bunsenges. Phys. Chem. 89, 270-274 (1985). DOI:10.1002/bbpc.19850890316
52. B. S. Ault and J. Manz: Alkali Hydrogen Bihalides as Candidates for Vibrational Bonding, Chem. Phys. Lett. 115, 392-394 (1985). DOI:10.1016/0009-2614(85)85155-1
53. K. C. Kulander, J. Manz and H. H. R. Schor: Local and Hyperspherical Mode Approximations to Resonances in Collinear Atom-Diatom Reactions, J. Chem. Phys. 82, 3088-3099 (1985). DOI:10.1063/1.448258
54. I. Benjamin, R. H. Bisseling, R. Kosloff, R. D. Levine, J. Manz and H. H. R. Schor: Quasi-Bound States of Coupled Morse Oscillators, Chem. Phys. Lett. 116, 255-261 (1985). DOI:10.1016/0009-2614(85)80165-2
55. P. L. Gertitschke, J. Manz, J. Römelt and H. H. R. Schor: Collinear Hydrogen Transfer from Hydride Reactants to Non-Degenerate Products: The F+DBr(v=0) → FD(v' ≤ 7) + Br Reaction, J. Chem. Phys. 83, 208-214 (1985). DOI:10.1063/1.449810
56. R. H. Bisseling, R. Kosloff and J. Manz: Dynamics of Hyperspherical and Local Mode Resonance Decay Studied by Time Dependent Wave Packet Propagation, J. Chem. Phys. 83, 993-1004 (1985). DOI:10.1063/1.449426
57. J. Manz: Theorie modenselektiver chemischer Elementarreaktionen, in "35 Jahre Fonds der Chemischen Industrie 1950-1985", 127-134 (Verband der Chemischen Industrie, Frankfurt, 1985).
58. J. Manz: Molecular Dynamics Along Hyperspherical Coordinates, Comm. At. Mol. Phys. 17, 91-113 (1985).
59. W. Jakubetz, T. Joseph and J. Manz: Selective IR-Multiphoton Excitation of Hyperspherical Modes, Chem. Phys. Lett. 126, 48-53 (1986). DOI:10.1016/0009-2614(86)85114-4
60. J. Manz and H. H. R. Schor: A Vibrational Variational Hyperspherical (VIVAH) Approach to the Stretching States of Triatomic ABA Molecules, J. Phys. Chem. 90, 2030-2038 (1986). DOI:10.1021/j100401a012
61. T. Joseph and J. Manz: Mode Selective Dissociation of Vibrationally Excited ABA Molecular Resonances Stimulated by a Picosecond Infrared Laser Pulse, Molec. Phys. 58, 1149-1169 (1986). DOI:10.1080/00268978600101871
62. R. H. Bisseling, R. Kosloff, J. Manz, F. Mrugala, J. Römelt and G. Weichselbaumer: Lifetimes of Local and Hyperspherical Vibrational Resonances of ABA Molecules, J. Chem. Phys. 86, 2626-2638 (1987). DOI:10.1063/1.452754
63. T. Joseph, T. M. Kruel, J. Manz and I. Rexrodt: Model Calculation of Local Versus Hyperspherical Mode Selective Dissociation of H₂O, Chem. Phys. 113, 223-230 (1987). DOI:10.1016/0301-0104(87)80150-7
64. P. L. Gertitschke, P. Kiprof and J. Manz: A Dynamical "White Spot" on the Potential Energy Surface: The Close Interaction Region of the Collinear Hydrogen Transfer Reaction F+DBr → FD+Br, J. Chem. Phys. 87, 941-952 (1987). DOI:10.1063/1.453249
65. a) A. Manz and J. Manz: Ermittlung zulässiger Konzentrationsbereiche von dampf- oder gasförmigen Schadstoffgemischen in der Arbeitsatmosphäre, Zbl. Arbeitsmed. 37, 270-276 (1987).
    b) A. Manz and J. Manz: Praktische Beispiele für die toxikologische Bewertung der Gesamtwirkung verschiedener gesundheitsgefährdender Stoffe in der Luft am Arbeitsplatz, Zbl. Arbeitsmed. 37, 278-284 (1987).
66. T. Joseph, J. Manz, V. Mohan and H.-J. Schreier: Local Versus Hyperspherical Modes of Formaldehyde. I. Model Hamiltonian and Decay of the CH₂-Fragment, Ber. Bunsenges. Phys. Chem. 92, 397-403 (1988). DOI:10.1002/bbpc.198800081
67. B. Hartke and J. Manz: Do Chemical Reactions React along the Reaction Path?, J. Am. Chem. Soc. 110, 3063-3068 (1988). DOI:10.1021/ja00218a011
68. R. H. Bisseling, P. L. Gertitschke, R. Kosloff and J. Manz: Bi- and Unimolecular Resonances of the Collinear Reaction F+DBr ↔ FDBr* ↔ FD+Br, J. Chem. Phys. 88, 6191-6199 (1988). DOI:10.1063/1.454750
69. W. Karrlein, J. Manz, V. Mohan, H.-J. Schreier and T. Spindler: Local versus Hyperspherical Modes of Formaldehyde II. State Selective Evaluation of Vibrationally Excited Stretches, Molec. Phys. 64, 563-588 (1988). DOI:10.1080/00268978800100403
70. J. Manz: Mode Selective Bimolecular Reactions, in "Molecules in Physics, Chemistry and Biology", Vol.: 3, 365-404, ed.: J. Maruani (Kluwer, Dordrecht, 1989). DOI:10.1007/978-94-009-2853-4_15
71. R. A. Fischer, P. L. Gertitschke, J. Manz and H. H. R. Schor: Shape, Feshbach and "Avoided Crossing" Resonances of the Collinear F + DBr Reaction, Chem. Phys. Lett. 156, 100-108 (1989). DOI:10.1016/0009-2614(89)87090-3
72. W. Jakubetz, J. Manz and V. Mohan: Model Preparation of H₂O Hyperspherical Modes by Visible Versus Infrared Multiphoton Excitation, J. Chem. Phys. 90, 3686-3699 (1989). DOI:10.1063/1.455826
73. J. Manz: A Simplified Proof of the Kosloff-Rice Theorem: Intramolecular Quantum Dynamics Cannot Be Chaotic, J. Chem. Phys. 91, 2190-2193 (1989). DOI:10.1063/1.457027
74. E. J. Heller and J. Manz: Dissociation of Symmetry-Adapted Local Modes Studied by FFT-Propagation of Bond-Adapted Wavefunctions, Z. Phys. D. 13, 281-288 (1989). DOI:10.1007/BF01398894
75. B. Hartke, J. Manz and J. Mathis: Mode Selective Control of Unimolecular Dissociations: Survey and Model Simulations for HDO → H + DO, D + HO, Chem. Phys. 139, 123-146 (1989). DOI:10.1016/0301-0104(89)90007-4
76. B. Hartke and J. Manz: A New Quantum Isotope Effect - Extreme Local Mode Selectivity in Unimolecular Dissociations Imposed by Antagonism Between Dynamic Propensities of Educts and Zero Point Energies of Products, J. Chem. Phys. 92, 220-226 (1990). DOI:10.1063/1.458466
77. W. Jakubetz, J. Manz and H.-J. Schreier: Theory of Optimal Laser Pulses for Selective Transitions between Molecular Eigenstates, Chem. Phys. Lett. 165, 100-106 (1990). DOI:10.1016/0009-2614(90)87018-M
78. W. Jakubetz, B. Just, J. Manz and H.-J. Schreier: Mechanism of State-Selective Vibrational Excitation by an IR ps Laser Pulse Studied by Two Techniques: FFT Propagation of a Molecular Wavepacket and Analysis of the Corresponding Vibrational Transitions, J. Phys. Chem. 94, 2294-2300 (1990). DOI:10.1021/j100369a019
79. J. Manz and J. Römelt: Isotope Effects of the Collinear Reactions F + HBr, F + DBr and F + MuBr, J. Chem. Soc. Faraday Trans. 86, 1689-1700 (1990). DOI:10.1039/FT9908601689
80. a) B. Hartke, E. Kolba, J. Manz and H. H. R. Schor: Model Calculations on Laser Induced Dissociation of Bromine with Control of Electronic Product Excitation, Ber. Bunsenges. Phys. Chem. 94, 1312-1318 (1990). DOI:10.1002/bbpc.199000022
    b) B. Hartke, E. Kolba, J. Manz and H. H. R. Schor: Laser Control of Electronic Branching Ratios in Unimolecular Dissociation: Model Calculations on Bromine, in "Half Collision Resonance Phenomena in Molecules, American Institute of Physics Conference Proceedings", Vol.: 225, 264-271, eds.: M. Garcia-Sucre, G. Reseev and S. C. Ross (AIP, New York, 1991). DOI:10.1063/1.40541
81. M. Ganz, B. Hartke, W. Kiefer, E. Kolba, J. Manz and J. Strempel: Continuum Resonance Raman Scattering in Diatomic Molecules: Experiment and Theory, Vibr. Spectr. 1, 119-124 (1990). DOI:10.1016/0924-2031(90)80024-X
82. J. E. Combariza, B. Just, J. Manz and G. K. Paramonov: Isomerizations Controlled by Ultra-Short Infrared Laser Pulses: Model Simulations for the Inversion of Ligands (H) in the Double Well Potential of an Organometallic Compound, [(C₅H₅)(CO)₂FePH₂], J. Phys. Chem. 95, 10351-10359 (1991). DOI:10.1021/j100178a022
83. a) J. Manz: Comment on the Possibility of Observing Vibrational Bonding in IHI by Means of Photoelectron Detachment Spectroscopy of IHI, Faraday Discuss. Chem. Soc. 91, 116-117 (1991). DOI:10.1039/DC9919100111
    b) J. Manz: Comment on the Possibility of Controlling Product Branching Ratios of Molecular Resonance Decay by Photoelectron Detachment, Faraday Discuss. Chem. Soc. 91, 119-120 (1991). DOI:10.1039/DC9919100111
    c) A. E. Janza, W. Karrlein and J. Manz: Comment on Three- and Four-Dimensional Evaluations of Resonances in H₂O and HNCND, Faraday Discuss. Chem. Soc. 91, 134-136 (1991). DOI:10.1039/DC9919100111
    d) J. E. Combariza, J. Manz and G. K. Paramonov: Comment on Selective Control of Reverse Isomerizations of [(C₅H₅)(CO)₂FePH₂] by Ultra-Short Infrared Laser Pulses, Faraday Discuss. Chem. Soc. 91, 358-362 (1991). DOI:10.1039/DC9919100337
    e) J. E. Combariza, S. Görtler and J. Manz: Comment on Pump-and-Probe Transition State Spectroscopy of Barrier-Crossings during Isomerizations: Model Simulations for Semibullvalenes, Faraday Discuss. Chem. Soc. 91, 362-366 (1991). DOI:10.1039/DC9919100337
    f) E. Kolba and J. Manz: Comment on Specific Electronic Product States Generated by Ultra-Short Pump-and-Control Laser Pulses: Model Simulations for Br2, Faraday Discuss. Chem. Soc. 91, 369-372 (1991). DOI:10.1039/DC9919100337
84. M. Ganz, W. Kiefer, E. Kolba, J. Manz and J. Strempel: Linear and Nonlinear Continuum Resonance Raman Scattering in Diatomic Molecules: Experiment and Theory, in "Coherent Raman Spectroscopy, Springer Proceedings in Physics", Vol.: 63, 26-37, eds.: G. Marowsky and V. V. Smirnov (Springer, Berlin, 1992). DOI:10.1007/978-3-642-77194-1_3
85. B. Hartke, A. E. Janza, W. Karrlein, J. Manz, V. Mohan and H.-J. Schreier: Local Versus Hyperspherical Modes of Water and Formaldehyde: Effect of Molecular Complexity on Mode-Selective Structures and Dynamics, J. Chem. Phys. 96, 3569-3584 (1992). DOI:10.1063/1.461911
86. J. E. Combariza, C. Daniel, E. Kolba, J. Manz, B. Warmuth, U. Wecker and H. Werner: Model Studies for Selective IR + UV Photolysis of Hydrogen versus Deuterium Ligands from Organometallic Compounds, in "Selective Reactions of Metal-Activated Molecules", 229-232, eds.: A. Griesbeck, H. Werner, W. Adam, G. Bringmann and W. Kiefer (Vieweg, Braunschweig, 1992).
87. E. Kolba, J. Manz, H.-J. Schreier and I. Trisca: A Reflection Principle in Continuum Resonance Raman Scattering, Chem. Phys. Lett. 189, 505-512 (1992). DOI:10.1016/0009-2614(92)85241-2
88. B. Hartke, W. Kiefer, E. Kolba, J. Manz and J. Strempel: Scattering Delay Times and Transition Rates for Continuum Resonance Raman Scattering: Detailed Derivations via the Time-dependent Approach and Applications to ⁷⁹Br₂, J. Chem. Phys. 96, 5636-5649 (1992). DOI:10.1063/1.462688
89. B. Just, J. Manz and I. Trisca: Chirping Ultrashort Infrared Laser Pulses with Analytical Shapes for Selective Vibrational Excitation: Model Simulations for OH (v=0) → OH (v≤10), Chem. Phys. Lett. 193, 423-428 (1992). DOI:10.1016/0009-2614(92)85652-Q
90. B. Just, J. Manz and G. K. Paramonov: Series of Ultrashort Infrared Laser Pulses with Analytical Shapes for Selective Vibrational Excitation: Model Simulations for OH (v=0) → OH (v=10), Chem. Phys. Lett. 193, 429-434 (1992). DOI:10.1016/0009-2614(92)85653-R
91. J. E. Combariza, S. Görtler, B. Just and J. Manz: Control of Isomerizations by Series of Ultrashort Infrared Laser Pulses: Model Simulations for Semibullvalenes, Chem. Phys. Lett. 195, 393-399 (1992). DOI:10.1016/0009-2614(92)85623-I
92. M. Ganz, W. Kiefer, E. Kolba, J. Manz and P. Vogt: A Symmetry Principle for Corresponding Stokes and Anti-Stokes Continuum Resonance Raman Scattering, Chem. Phys. 164, 99-106 (1992). DOI:10.1016/0301-0104(92)87133-T
93. M. Ganz, W. Kiefer, J. Manz, F. Seyl, P. Vogt and B. Warmuth: Time Dependent Aspects of the Golden Rule for Continuum Resonance Raman Scattering: From Diatomic towards Organometallic Molecules, in "XIIIth International Conference on Raman Spectroscopy", 46-47, eds.: W. Kiefer, M. Cardona, G. Schaack, F. W. Schneider and H. W. Schrötter (Wiley, Chichester, 1992).
94. J. E. Combariza, C. Daniel, B. Just, E. Kades, E. Kolba, J. Manz, W. Malisch, G. K. Paramonov and B. Warmuth: Laser Stimulated Selective Reactions and Synthesis of Isotopomers. New Strategies from Diatomic to Organometallic Molecules, in "Isotope Effects in Gas Phase Chemistry, ACS Syposium Series", Vol.: 502, 310-334, ed.: J. A. Kaye (American Chemical Society, Washington, 1992). DOI:10.1021/bk-1992-0502.ch020
95. J. Manz, B. Reischl, T. Schröder, F. Seyl and B. Warmuth: On the Laser-Femtochemistry Approach to Coherent Molecular Vibrations: Model Simulations for Ni[C₂D₄] → Ni + C₂D₄, Chem. Phys. Lett. 198, 483-490 (1992). DOI:10.1016/0009-2614(92)80032-7
96. K. Bergmann, S. Görtler, J. Manz and H. Quast: Fundamental Frequencies Increasing with Reduced Masses: An Inverse Quantum Isotope Effect in Molecules with Shallow Double Well Potentials, e.g. Semibullvalenes, J. Am. Chem. Soc. 115, 1490-1495 (1993). DOI:10.1021/ja00057a038
97. C. Daniel, M. C. Heitz, L. Lehr, J. Manz and T. Schröder: Polanyi Rules for Ultrafast Unimolecular Reactions: Simulations for HCo(CO)₄(¹E)* → H + Co(CO)₄, J. Phys. Chem. 97, 12485-12490 (1993). DOI:10.1021/j100150a007
98. J. Gaus, K. Kobe, V. Bonačić-Koutecký, H. Kühling, J. Manz, B. Reischl, S. Rutz, E. Schreiber and L. Wöste: Experimental and Theoretical Approach to the Pseudorotating Na₃(B), J. Phys. Chem. 97, 12509-12515 (1993). DOI:10.1021/j100150a011
99. W. Jakubetz, E. Kades and J. Manz: State-Selective Excitation of Molecules by Means of Optimized Ultrashort Infrared Laser Pulses, J. Phys. Chem. 97, 12609-12619 (1993). DOI:10.1021/j100150a024
100. J. Manz and G. K. Paramonov: Laser Control Scheme for State-Selective Ultrafast Vibrational Excitation of the HOD Molecule, J. Phys. Chem. 97, 12625-12633 (1993). DOI:10.1021/j100150a026
101. J. Manz, G. K. Paramonov, M. Polášek and C. Schütte: Overtone State-Selective Isomerization by Series of Picosecond Infrared Laser Pulses: Model Simulations for Be₂H₃D^- (C_2v → C_3v), Israel J. Chem. 34, 115-125 (1994). DOI:10.1002/ijch.199400016
102. O. Brackhagen, O. Kühn, J. Manz, V. May and R. Meyer: Coherent and Dissipative Wave Packet Dynamics in Cyclic Model Systems with Four Equivalent Potential Minima, J. Chem. Phys. 100, 9007-9017 (1994). DOI:10.1063/1.466705
103. C. V. Freyer, J. Manz and O. Nuyken: Model Simulation of Cationic Polymerization by an Iterative Technique, Macromol. Theory Simul. 3, 845-854 (1994). DOI:10.1002/mats.1994.040030503
104. C. Daniel, E. Kolba, L. Lehr, J. Manz and T. Schröder: Photodissociation Dynamics of Organometallic Complexes: Model Simulation for H + Co(CO)₄ → HCo(CO)₄* → HCo(CO)₃ + CO, J. Phys. Chem. 98, 9823-9830 (1994). DOI:10.1021/j100090a016
105. I. Hahndorf, E. Illenberger, L. Lehr and J. Manz: Temperature Effects of Dissociative Electron Attachment to CFCl₃, Chem. Phys. Lett. 231, 460-466 (1994). DOI:10.1016/0009-2614(94)01400-0
106. C. Daniel, M.-C. Heitz, J. Manz and C. Ribbing: Spin-Orbit Induced Radiationless Transitions in Organometallics: Quantum Simulation of the ¹E → ³A₁ Intersystem Crossing Process in HCo(CO)₄, J. Chem. Phys. 102, 905-912 (1995). DOI:10.1063/1.469157
107. J. Manz: Molekülspektroskopie and Moleküldynamik, Nachr. Chem. Techn. Lab. 43, 219-226 (1995).
108. M. Dohle, J. Manz and G. K. Paramonov: A Pump and Dump and Probe Strategy for the Spectroscopy of the Transition State During a Laser-Controlled Isomerization: Model Simulation for the Cope-Rearrangement of 2,6-Dicyanoethylmethylsemibullvalene, Ber. Bunsengs. Phys. Chem. 99, 478-484 (1995). DOI:10.1002/bbpc.19950990336
109. M. Dohle, J. Manz, G. K. Paramonov and H. Quast: Design of Substituted Semibullvalenes Suitable for Control of the Cope Rearrangement by Two ps IR Laser Pulses, Chem. Phys. 197, 91-97 (1995). DOI:10.1016/0301-0104(95)00141-A
110. J. Manz, B. Proppe and B. Schmidt: From Torsional Spectra to Hamiltonians and Dynamics: Effects of Coupled Bright and Dark States of 9-(N-Carbazolyl)-Anthracene, Z. Phys. D 34, 111-118 (1995). DOI:10.1007/BF01439385
111. C. Daniel, R. de Vivie-Riedle, M.-C. Heitz, J. Manz and P. Saalfrank: From Laser-Control of Vibrationally Mediated Photodissociation to Photodesorption: Model Simulations of Breaking Metal-Ligand Bonds in Organo-Metallic Molecules, Clusters and Adsorbates at Surfaces, Int. J. Quant. Chem. 57, 595-609 (1996). DOI:10.1002/(SICI)1097-461X(1996)57:4%3C595::AID-QUA8%3E3.0.CO;2-T
112. R. de Vivie-Riedle, J. Gaus, V. Bonačić-Koutecký, J. Manz, B. Reischl, S. Rutz, E. Schreiber and L. Wöste: Pulse Width Controlled Molecular Dynamics: Symmetric Stretch Versus Pseudorotations in Na₃(B), in "Femtosecond Chemistry and Physics of Ultrafast Processes", 319-325, ed.: M. Chergui (World Scientific, Singapore, 1996). DOI:10.1142/9789814531580
113. R. de Vivie-Riedle, K. Kobe, J. Manz, W. Meyer, B. Reischl, S. Rutz, E. Schreiber and L. Wöste: Femtosecond Study of Multiphoton Ionization Processes in K₂: from Pump-Probe to Control, J. Phys. Chem. 100, 7789-7796 (1996). DOI:10.1021/jp952740d
114. J. S. Briggs, E. Kades, J. Manz, J. M. Rost, C. Schlier and A. Seiter: A New Isotope Effect on Vibrational States: From Hyperspherical Modes of H₂O to Hyperellipsoidal Modes of HOT, in Festschrift H. Baumgärtel, Z. Phys. Chem. 195, 65-88 (1996). DOI:10.1524/zpch.1996.195.Part_1_2.065
115. M. V. Korolkov, J. Manz, G. K. Paramonov and B. Schmidt: Vibrationally State Selective Photoassociation by Infrared Sub-Picosecond Laser Pulses: Model Simulations for O+H → OH(v), Chem. Phys. Lett. 260, 604-610 (1996). DOI:10.1016/0009-2614(96)00938-4
116. M. V. Korolkov, J. Manz and G. K. Paramonov: State-Selective Control for Dissipative Vibrational Dynamics of HOD by Shaped Ultrashort Infrared Laser Pulses, J. Phys. Chem. 100, 13927-13940 (1996). DOI:10.1021/jp960930y
117. M. V. Korolkov, J. Manz and G. K. Paramonov: Theory of Ultrafast Laser Control of Isomerization Reactions in an Environment: Picosecond Cope Rearrangement of Substituted Semibullvalenes, J. Chem. Phys. 105, 10874-10889 (1996). DOI:10.1063/1.472894
118. L. Lehr, J. Manz and W. H. Miller: A Classical Approach to Resonant Low Energy Electron Scattering off Molecules: Application to the a₁-Shape Resonance of CF₃Cl, Chem. Phys. 214, 301-312 (1997). DOI:10.1016/S0301-0104(96)00311-4
119. J. Manz, P. Saalfrank and B. Schmidt: Quantum Dynamical Aspects of Rotationally and Vibrationally Mediated Photochemistry in Matrices and at Surfaces: HCl/DCl in Ar, and NH₃/ND₃ at Cu (111), J. Chem. Soc., Faraday Transactions 93, 957-967 (1997). DOI:10.1039/A606144C
120. J. Giraud-Girard, J. Manz and C. Scheurer: Twist Dynamics of 9-(N-Carbazolyl)-Anthracene: Effects of Intramolecular Vibrational Redistribution on Non-Adiabatic Transitions in Coupled Bright and Dark States, Z. Phys. D 39, 291-299 (1997). DOI:10.1007/s004600050139
121. R. S. Berry, V. Bonačić-Koutecký, J. Gaus, T. Leisner, J. Manz, B. Reischl-Lenz, H. Ruppe, S. Rutz, E. Schreiber, S. Vajda, R. de Vivie-Riedle, S. Wolf and L. Wöste: Size Dependent Ultrafast Relaxation Phenomena in Metal Clusters, Adv. Chem. Phys. 101, 101-132 (1997). DOI:10.1002/9780470141601.ch4
122. M. V. Korolkov, J. Manz and G. K. Paramonov: Theory of Laser Control of Vibrational Transitions and Chemical Reactions by Ultrashort Infrared Laser Pulses, Adv. Chem. Phys. 101, 327-343 (1997). DOI:10.1002/9780470141601.ch13
123. a) P. Backhaus, J. Manz and B. Schmidt: Comment on Femtosecond Chemistry of Bimolecular Reactions from van der Waals Precursors versus Collision Pairs in: "Chemical Reactions and their Control on the Femtosecond Time Scale, 2 Hg → Hg₂*. XXth Solvay Conference on Chemistry" (eds. P. Gaspard, I. Burghardt, I. Prigogine, S. A. Rice), Adv. Chem. Phys. 101, 86-89 (1997).
     b) R. de Vivie-Riedle, J. Manz, B. Reischl-Lenz and L. Wöste: Comment on Coherent Vibrations Versus Intramolecular Vibrational Redistribution Observed by fs-, ps- and cw-Spectroscopy of Na₃(B), Adv. Chem. Phys. 101, 132-137 (1997)
     c) R. de Vivie-Riedle and J. Manz: Comment on Femtosecond Spectroscopy of Hole Burning in Vibrational Wavepackets, Adv. Chem. Phys. 101, 196-198 (1997)
     d) M. V. Korolkov, J. Manz and G. K. Paramonov: Comment on the Keldish Limit to Photoionization by Intense fs IR Laser Pulses for Control of Chemical Reactions, Adv. Chem. Phys. 101, 374-377 (1997).
124. M. V. Korolkov, J. Manz and G. K. Paramonov: Theory of Ultrafast Laser Control for State-Selective Dynamics of Diatomic Molecules in the Ground Electronic State: Vibrational Excitation, Dissociation, Spatial Squeezing and Association, Chem. Phys. 217, 341-374 (1997). DOI:10.1016/S0301-0104(97)00054-2
125. R. de Vivie-Riedle, J. Gaus, V. Bonačić-Koutecký, J. Manz, B. Reischl-Lenz and P. Saalfrank: Theoretical Study of the Absorption Spectrum of the Pseudorotating Na₃(B), Chem. Phys. 223, 1-14 (1997). DOI:10.1016/S0301-0104(97)00191-2
126. J. Manz: Molecular Wavepacket Dynamics: Theory for Experiments 1926-1996, in "Femtochemistry and Femtobiology: Ultrafast Reaction Dynamics at Atomic Scale Resolution, Nobel Symposium", Vol.: 101, 80-318, ed.: V. Sundström (Imperial College Press, London, 1997). DOI:10.1002/chin.199834333
127. N. Došlić, O. Kühn and J. Manz: A. coherent vs. incoherent hydrogen dynamics across or through a barrier:Infrared Laser Pulse Controlled Ultrafast H-Atom Switching in Two-Dimensional Asymmetric Double Well Potentials, Ber. Bunsenges. Phys. Chem. 102, 292-297 (1998). DOI:10.1002/bbpc.19981020303
128. P. Backhaus, J. Manz and B. Schmidt: Effect of Rotations and Shape Resonances on Photoassociation and Photoacceleration by Short Infrared Laser Pulses, J. Phys. Chem. A 102, 4118-4128 (1998). DOI:10.1021/jp9800057
129. J. Manz, M. Oppel and G. K. Paramonov: Quasi-Coherent Molecular Vibrations with Energies above the Dissociation Threshold in the Ground Electronic State, J. Phys. Chem. A 102, 4271-4276 (1998). DOI:10.1021/jp980213z
130. J. Manz, K. Sundermann and R. de Vivie-Riedle: Quantum Optimal Control Strategies for Photoisomerization via Electronically Excited States, Chem. Phys. Lett. 290, 415-422 (1998). DOI:10.1016/S0009-2614(98)00472-2
131. R. de Vivie-Riedle, J. Manz and K. Sundermann: Optimal Laser Control for Photoisomerization, in "Ultrafast Phenomena XI", 465-467, eds.: T. Elsaesser, J. G. Fujimoto, D. A. Wiersma and W. Zinth (Springer Verlag, Berlin, 1998). DOI:10.1007/978-3-642-72289-9_140
132. N. Došlić, O. Kühn, J. Manz and K. Sundermann: The "Hydrogen-Subway" - A Tunneling Approach to Intramolecular Hydrogen Transfer Reactions Controlled by Ultrashort Laser Pulses, J. Phys. Chem. A 102, 9645-9650 (1998). DOI:10.1021/jp982470+
133. O. Kühn, J. Manz and Y. Zhao: Ultrafast IR Laser Control of Photodissociation: Single- versus Multi-pulse Schemes, Phys. Chem. Chem. Phys. 1, 3103-3110 (1999). DOI:10.1039/A902136A
134. Y. Fujimura, L. González, K. Hoki, J. Manz and Y. Ohtsuki: Selective Preparation of Enantiomers by Laser Pulses: Quantum Model Simulation for H₂POSH, Chem. Phys. Lett. 306, 1-8 (1999). Corrigendum ibid, 310, 578-579 (1999). DOI:1016/S0009-2614(99)00440-6
135. I. Andrianov, V. Bonačić-Koutecký, M. Hartmann, J. Manz, J. Pittner and K. Sundermann: Ab Initio Three-Dimensional Quantum Dynamics of Ag₃ Clusters in the NeNePo Process, Chem. Phys. Lett. 318, 256-262 (2000). DOI:10.1016/S0009-2614(00)00027-0
136. O. Brackhagen, H. Busse, J. Giraud-Girard, J. Manz and M. Oppel: Fluorescence Lifetimes of 9-(N-carbazolyl)-Anthracene: Effects of Intramolecular Vibrational Redistribution and Electronic Transitions in Coupled Bright and Dark States, J. Chem. Phys. 112, 8819-8829 (2000). DOI:10.1063/1.481497
137. R. B. Gerber, M. V. Korolkov, J. Manz, M. Y. Niv and B. Schmidt: A Reflection Principle for the Control of Molecular Photodissociation in Solids: Model Simulation for F₂ in Ar, Chem. Phys. Lett. 327, 76-84 (2000). DOI:10.1016/S0009-2614(00)00799-5
138. J. Manz, H. Naundorf, K. Yamashita and Y. Zhao: Quantum Model Simulation of Complete S₀ → S₁ Population Transfer by Means of Intense Laser Pulses with Opposite Chirp, J. Chem. Phys. 113, 8969-8980 (2000). DOI:10.1063/1.1319347
139. L. González, K. Hoki, D. Kröner, A. S. Leal, J. Manz and Y. Ohtsuki: Selective Preparation of Enantiomers by Laser Pulses: From Optimal Control to Specific Pump and Dump Transitions, J. Chem. Phys. 113, 11134-11142 (2000). DOI:10.1063/1.1310595
140. a) Y. Fujimura, L. González, K. Hoki, D. Kröner, J. Manz and Y. Ohtsuki: From a Racemate to a Pure Enantiomer by Laser Pulses: Quantum Model Simulations for H₂POSH, Angew. Chem. Int. Ed. 39, 4586-4588 (2000). DOI:10.1002/1521-3773(20001215)39:24%3C4586::AID-ANIE4586%3E3.0.CO;2-H
     b) Y. Fujimura, L. González, K. Hoki, D. Kröner, J. Manz and Y. Ohtsuki: Zur Laserpuls-Präparation reiner Enantiomere aus einem Racemat: Quantenmechanische Modellsimulation für H₂POSH, Angew. Chem. 112, 4785-4788 (2000). DOI:10.1002/1521-3757(20001215)112:24%3C4785::AID-ANGE4785%3E3.0.CO;2-L
141. Y. Fujimura, L. González, K. Hoki, J. Manz, Y. Ohtsuki and H. Umeda: Quantum Control of Isomerization and Enantiomer Preparation, in "Advances in Multi-Photon Processes and Spectroscopy, Quantum Control of Molecular Reaction Dynamics", Vol.: 14, 30-46, eds.: R. J. Gordon and Y. Fujimura (World Scientific, Singapore, 2001). DOI: 10.1142/9789812791948_0003
142. G. Chaban, R. B. Gerber, M. V. Korolkov, J. Manz, M. Y. Niv and B. Schmidt: Photodissociation Dynamics of Molecular Fluorine in an Argon Matrix Induced by Ultrashort Laser Pulses, in Festschrift W. H. Miller, J. Phys. Chem. A 105, 2770-2782 (2001). DOI:10.1021/jp004163l
143. F. Evers, J. Giraud-Girard, S. Grimme, J. Manz, C. Monte, M. Oppel, W. Rettig, P. Saalfrank and P. Zimmermann: Absorption and Fluorescence Excitation Spectra of 9-(N-Carbazolyl)-Anthracene: Effects of Intramolecular Vibrational Redistribution and Diabatic Transitions Involving Electron Transfer, in Festschrift W. H. Miller, J. Phys. Chem. A 105, 2911-2924 (2001). DOI:10.1021/jp003879d
144. K. Hoki, D. Kröner and J. Manz: Selective Preparation of Enantiomers from a Racemate by Laser Pulses: Model Simulation for Oriented Atropisomers with Coupled Rotations and Torsions, Chem. Phys. 267, 59-79 (2001). DOI:10.1016/S0301-0104(01)00264-6
145. C. Daniel, J. Full, L. González, C. Kaposta, M. Krenz, C. Lupulescu, J. Manz, S. Minemoto, M. Oppel, P. Rosendo-Francisco, Š. Vajda and L. Wöste: Analysis and control of laser induced fragmentation processes in CpMn(CO)₃, Chem. Phys. 267, 247-260 (2001). DOI:10.1016/S0301-0104(01)00315-9
146. N. Došlić, Y. Fujimura, L. González, K. Hoki, D. Kröner, O. Kühn, J. Manz and Y. Ohtsuki: Quantum Control of Ultrafast Laser-Driven Isomerization Reactions: Proton Transfer and Selective Preparation of Enantiomers, in "Femtochemistry", 189-198, eds.: F. C. D. Schryver, S. D. Feyter and G. Schweitzer (Wiley-VCH, Weinheim, 2001). DOI:10.1002/3527600183.ch9
147. J. Manz, B. Proppe and B. Schmidt: Time-resolved Dual Fluorescence of 1-Phenyl-pyrrole in Acetonitrile: Molecular Dynamics Simulations of Solvent Response to Twisted Intramolecular Charge Transfer, Phys. Chem. Chem. Phys. 4, 1876-1881 (2002). DOI:10.1039/B109488B
148. K. Hoki, D. Kröner and J. Manz: From an Oriented Racemate via Torsionally or Electronically Excited States to Pure Enantiomers: Design of Pump-Dump Laser Pulses, in "Femtochemistry and Femtobiology: Ultrafast Dynamics in Molecular Science", 337-354, eds.: A. Douhal and J. Santamaria (World Scientific, Singapore, 2002). DOI:10.1142/9789812777980_0034
149. M. Bargheer, R. B. Gerber, M. V. Korolkov, O. Kühn, J. Manz, M. Schröder and N. Schwentner: Subpicosecond Spin-flip Induced by the Photodissociation Dynamics of ClF in an Ar Matrix, Phys. Chem. Chem. Phys. 4, 5554-5562 (2002). DOI:10.1039/B206382D
150. C. Daniel, J. Full, L. González, C. Lupulescu, J. Manz, A. Merli, Š. Vajda and L. Wöste: Deciphering the Reaction Dynamics Underlying Optimal Control Laser Fields, Science 299, 536-539 (2003). DOI:10.1126/science.1078517
151. M. V. Korolkov and J. Manz: Initial Processes of Laser Induced Diatomic Molecular Photodissociation in Matrices: Quantum Simulations for F₂ in Ar in Reduced Dimensionality, in Festschrift S. D. Peyerimhoff, Z. Phys. Chem. 217, 115-131 (2003). DOI:10.1524/zpch.217.2.115.22614
152. N. Elghobashi, P. Krause, J. Manz and M. Oppel: IR + UV Laser Pulse Control of Momenta Directed to Specific Products: Quantum Model Simulations for HOD* → H + OD versus HO + D, Phys. Chem. Chem. Phys. 5, 4806-4813 (2003). DOI:10.1039/B305305A
153. N. Elghobashi, L. González and J. Manz: Quantum Simulations for Isotope Effects of IR + UV Laser Pulses on Symmetry and Selective Hydrogen Bond Breaking, in Festschrift H.-H. Limbach, Z. Phys. Chem. 217, 1577-1596 (2003). DOI:10.1524/zpch.217.12.1577.20472
154. N. Elghobashi and J. Manz: Separating the Photofragments of Randomly Oriented Symmetric Reactants by IR + UV Laser Pules: Quantum Simulations for FHF^- → F + HF + e^-, in Festschrift J. Jortner, Israel J. Chem. 43, 293-303 (2003). DOI:10.1560/E0HM-YAB4-QKMQ-F48T
155. Y. Fujimura, L. González, D. Kröner, J. Manz, I. Mehdaoui and B. Schmidt: Quantum Ignition of Intramolecular Rotation by Means of IR + UV Laser Pulses, Chem. Phys. Lett. 386, 248-253 (2004). DOI:10.1016/j.cplett.2004.01.070
156. N. Elghobashi, L. González and J. Manz: Quantum Model Simulations of Symmetry Breaking and Control of Bond Selective Dissociation of FHF^- Using IR + UV Laser Pulses, J. Chem. Phys. 120, 8002-8014 (2004). DOI:10.1063/1.1691022
157. D. Ambrosek, C. A. Chatzidimitriou-Dreismann, P. Krause, J. Manz, H. Naumann and C. v. Wüllen: Attosecond Dynamics of Nuclear Wavepackets Induced by Neutron Compton Scattering, Chem. Phys. 302, 229-241 (2004). DOI:10.1016/j.chemphys.2004.03.019
158. M. V. Korolkov and J. Manz: Coherent Spin Control of Matrix Isolated Molecules by IR + UV Laser Pulses: Quantum Simulations for ClF in Ar, J. Chem. Phys. 120, 11522-11531 (2004). DOI:10.1063/1.1753256
159. M. V. Korolkov and J. Manz: Cage Exit Supported by Spin-Orbit Coupling: Quantum Model Simulations for ClF in an Ar Matrix, Chem. Phys. Lett. 393, 44-50 (2004). DOI:10.1016/j.cplett.2004.05.112
160. H. Lippert, J. Manz, M. Oppel, G. K. Paramonov, W. Radloff, H.-H. Ritze and V. Stert: Control of Breaking Strong versus Weak Bonds of BaFCH₃ by Femtosecond IR + VIS Laser Pulses: Theory and Experiment, Phys. Chem. Chem. Phys. 6, 4283-4295, Corrigendum ibid: 5086 (2004). DOI:10.1039/B405683C
161. J. Full, L. González and J. Manz: Neutral-to-ionic ZEKE Transition Dipole Couplings Beyond Koopmans' Picture: Application to Femtosecond Pump-Probe Spectroscopy, Chem. Phys. 314, 143-158 (2005). DOI:10.1016/j.chemphys.2005.01.030
162. L. González, J. Manz, B. Schmidt and M. F. Shibl: Optical Resolution of Oriented Enantiomers via Photodissociation: Quantum Simulations for H₂POSD, Phys. Chem. Chem. Phys. 7, 4096- 4101 (2005). DOI:10.1039/B511495K
163. a) I. Barth and J. Manz: Anregung periodischer Elektronen‐Kreisbewegung durch circular polarisierte Laserpulse: quantenmechanische Modell‐Simulationen für Mg‐Porphyrin, Angew. Chem. 118, 3028-3031 (2006). DOI:10.1002/ange.200504147
     b) I. Barth and J. Manz: Periodic Electron Circulation Induced by Circularly Polarized Laser Pulses: Quantum Model Simulations for Mg-porphyrin, Angew. Chem. Int. Ed. 45, 2962-2965 (2006). DOI:10.1002/anie.200504147
164. A. B. Alekseyev, M. V. Korolkov, O. Kühn, J. Manz and M. Schröder: Model Simulation of Coherent Laser Control of the Ultrafast Spin-Flip Dynamics of Matrix-isolated Cl₂, J. Photochem. Photobiol. A: Chem. 180, 262-270 (2006). DOI:10.1016/j.jphotochem.2006.02.025
165. I. Barth, J. Manz, Y. Shigeta and K. Yagi: Unidirectional Electronic Ring Current Driven by a Few Cycle Circularly Polarized Laser Pulse: Quantum Model Simulations for Mg-Porphyrin, J. Am. Chem. Soc. 128, 7043-7049 (2006). DOI:10.1021/ja057197l
166. J. Full, L. González and J. Manz: Quantum Chemistry Based Inversion of Experimental Pump-Probe Spectra: Model Simulations for CpMn(CO)₃, Chem. Phys. 329, 126-138 (2006). DOI:10.1016/j.chemphys.2006.06.042
167. I. Barth and J. Manz: Design of Circularly Polarized Laser Pulses for Periodic Electron Circulation in Mg-Porphyrin, in "Femtochemistry VII: Fundamental Ultrafast Processes in Chemistry, Physics, and Biology", 441 - 454, eds.: J. A. Welford Castleman and M. L. Kimble (Elsevier, Amsterdam, 2006). DOI:10.1016/B978-044452821-6/50066-6
168. I. Barth, L. González, C. Lasser, J. Manz and T. Rozgonyi: Laser Control of Nuclear and Electron Dynamics: Bond Selective Photodissociation and Electron Circulation, in "Coherent Control of Molecules", 18-27, eds.: B. Lasorne and G. A. Worth (CCP6, Daresbury, 2006). http://www.ccp6.ac.uk/publications.htm
169. a) L. González and J. Manz: Solutions of the Time Dependent Schrödinger Equation for Complex Systems in Reduced Dimensionality, in "Analysis and Control of Ultrafast Photoinduced Reactions", ch. 3.2.2, 162-163, eds.: O. Kühn and L. Wöste (Springer, Berlin, 2007). DOI:10.1007/978-3-540-68038-3_3
     b) L. González and J. Manz: Organometallic complexes: Control of Excited State Dynamics of CpMn(CO)₃, in "Analysis and Control of Ultrafast Photoinduced Reactions", Vol.: 87, 209-215, eds.: O. Kühn and L. Wöste (Springer , Berlin, 2007). DOI:10.1007/978-3-540-68038-3_3
170. M. V. Korolkov and J. Manz: Quantum Simulations of Wave Packet Dynamics in Reduced Dimensionality, From Analysis to Coherent Spin Control, in "Analysis and Control of Ultrafast Photoinduced reactions", ch. 4.10, 352-374, eds.: O. Kühn and L. Wöste (Springer, Heidelberg, 2007). DOI:10.1007/978-3-540-68038-3_4
171. O. Deeb, M. Leibscher, J. Manz, W. von Muellern and T. Seideman: Toward Separation of Nuclear Spin Isomers with Coherent Light, ChemPhysChem 8, 322-328 (2007). DOI:10.1002/cphc.200600543
172. I. Barth and J. Manz: Electric Ring Currents in Atomic Orbitals and Magnetic Fields Induced by Short Intense Circularly Polarized π Laser Pulses, Phys. Rev. A 75, 012510; 1-9 (2007). DOI:10.1103/PhysRevA.75.012510
173. M. V. Korolkov and J. Manz: Design of UV Laser Pulses for the Preparation of Matrix Isolated Homonuclear Diatomic Molecules in Selective Vibrational Superposition States, J. Chem. Phys. 126, 174306; 1-11 (2007). DOI:10.1063/1.2723724
174. M. Bargheer, A. Cohen, R. B. Gerber, M. Gühr, M. V. Korolkov, J. Manz, M. Y. Niv, M. Schröder and N. Schwentner: Dynamics of Electronic States and Spin-Flip for Photodissociation of Dihalogens in Matrices: Experiment and Semiclassical Surface-Hopping and Quantum Model Simulations for F₂ and ClF in Solid Ar, in Festschrift S. H. Lin, J. Phys. Chem. A 111, 9573-9585 (2007). DOI:10.1021/jp071771t
175. I. Barth, J. Manz and G. K. Paramonov: Time-dependent Extension of Koopmans' Picture for Ionisation by a Laser Pulse: Application to H₂ (B¹Σ_u⁺), In Festschrift R. D. Levine, Molec. Phys. 106, 467-483 (2008). DOI:10.1080/00268970701871007
176. I. Barth, J. Manz and P. Sebald: Spinning a Pseudorotating Molecular Top by Means of a Circularly Polarized Infrared Laser Pulse: Quantum Simulations for ¹¹⁴CdH₂, in Festschrift P. Botschwina, Chem. Phys. 346, 89-98 (2008). DOI:10.1016/j.chemphys.2008.02.053
177. I. Barth, J. Manz and L. Serrano-Andrés: Quantum Simulations of Toroidal Electric Ring Currents and Magnetic Fields in Linear Molecules Induced by Circularly Polarized Laser Pulses, in Festschrift W. Domcke, Chem. Phys. 347, 263-271 (2008). DOI:10.1016/j.chemphys.2007.09.037
178. M. Barbatti, S. Belz, M. Leibscher, H. Lischka and J. Manz: Sensitivity of Femtosecond Quantum Dynamics and Control with Respect to Non-adiabatic Couplings: Model Simulations for the Cis-trans Isomerization of the Dideuterated Methaniminium Cation, Chem. Phys. 350, 145-153 (2008). DOI:10.1016/j.chemphys.2008.01.053
179. I. Barth, J. Manz, G. Pérez-Hernández and P. Sebald: Towards Toroidal Hydrogen Bonds, in Festschrift H.-H. Limbach, Z. Phys. Chem. 222, 1311-1331 (2008). DOI:10.1524/zpch.2008.5390
180. A. D. Bandrauk, S. Chelkowski, D. J. Diestler, J. Manz and K.-J. Yuan: Quantum-mechanical Models for Photo-Ionization: Uni-directional Electron Re-scattering by a Laser Pulse, in Festschrift E. Illenberger, Int. J. Mass Spectr. 277, 189-196 (2008). DOI:10.1016/j.ijms.2008.06.018
181. A. D. Bandrauk, S. Chelkowski, D. J. Diestler, J. Manz and K.-J. Yuan: Quantum Simulation of High-order Harmonic Spectra of the Hydrogen Atom, Phys. Rev. A 79, 023403 (14pp) (2009). DOI:10.1103/PhysRevA.79.023403
182. S. Alfalah, S. Belz, O. Deeb, M. Leibscher, J. Manz and S. Zilberg: Photoinduced Quantum Dynamics of ortho- and para-Fulvene: Hindered Photoisomerization due to Mode Selective Fast Radiationless Decay via a Conical Intersection, J. Chem. Phys. 130, 124318 (12pp) (2009). DOI:10.1063/1.3089546
183. A. D. Bandrauk, S. Chelkowski, P. B. Corkum, J. Manz and G. L. Yudin: Attosecond Photoionization of a Coherent Superposition of Bound and Dissociative Molecular States: Effect of Nuclear Motion, J. Phys. B 42, 134001 (7pp) (2009). DOI:10.1088/0953-4075/42/13/134001
184. M. V. Korolkov, J. Manz and A. Schild: The Cl + H₂ ↔ HCl + H Reaction Induced by IR + UV Irradiation of Cl₂ in solid para-H₂: Quantum Model Simulation, in Festschrift R. B. Gerber, J. Phys. Chem. A 113, 7630-7646 (2009). DOI:10.1021/jp811206a
185. A. D. Bandrauk, J. Manz and K.-J. Yuan: Electron Wavepacket Phases in Ionization and Rescattering Processes by Intense Laser Pulses, Special Issue in Honor of N. B. Delone, Laser Physics 19, 1559-1573 (2009). DOI:10.1134/S1054660X09150031
186. I. Barth, H.-C. Hege, H. Ikeda, A. Kenfack, M. Koppitz, J. Manz, F. Marquardt and G. K. Paramonov: Concerted Quantum Effects of Electronic and Nuclear Fluxes in Molecules, Chem. Phys. Lett. 481, 118-123 (2009). DOI:10.1016/j.cplett.2009.09.011
187. S. Al-Jabour, M. Baer, O. Deeb, M. Leibscher, J. Manz, X. Xu and S. Zilberg: Molecular Symmetry Properties of Conical Intersections and Non-adiabatic Coupling Terms: Theory and Quantum Chemical Demonstration for Cyclopenta-2,4-dienimine (C₅H₄NH), in Festschrift B. Soep, J. Phys. Chem. A 114, 2991-3010 (2010). DOI:10.1021/jp905038t
188. O. Kühn, J. Manz and A. Schild: Quantum Effects on Translational Motions in Solid para-Hydrogen and ortho-Deuterium: Anharmonic Extension of the Einstein Model, J. Phys.: Condens. Matter 22, 135401 (8pp) (2010). DOI:10.1088/0953-8984/22/13/135401
189. M. V. Korolkov and J. Manz: Resonant versus off-resonant quantum reaction dynamics in quantum solids: Model simulations for Cl + H₂ → ClH₂* → HCl + H in solid para-hydrogen, in Festschrift E. Pollak, Chem. Phys. 370, 159-167 (2010). DOI:10.1016/j.chemphys.2009.12.026
190. P. Baum, J. Manz and A. Schild: Quantum Model Simulations of Attosecond Electron Diffraction, Science China: Physics, Mechanics & Astronomy 53, 987-1004 (2010). DOI:10.1007/s11433-010-4017-y
191. M. V. Korolkov, J. Manz and A. Schild: Isotope Effects of Reactions in Quantum Solids Initiated by IR + UV Lasers: Quantum Model Simulations for Cl(²P_3/2) + X₂(ν) → XCl + X in X₂ Matrices (X = H,D), in Festschrift R. Schinke, J. Phys. Chem. A 114, 9795-9808 (2010). DOI:10.1021/jp102809p
192. A. Accardi, I. Barth, O. Kühn and J. Manz: From Synchronous to Sequential Double Proton Transfer: Quantum Dynamics Simulations for the Model Porphine, in Festschrift K. Müller-Dethlefs, J. Phys. Chem. A 114, 11252-11262 (2010). DOI:10.1021/jp103435d
193. H.-C. Hege, J. Manz, F. Marquardt, B. Paulus and A. Schild: Electron Flux during Pericyclic Reactions in the Tunneling Limit: Quantum Simulation for Cyclooctatetraene, in Festschrift H. Köppel, Chem. Phys. 376, 46-55 (2010). DOI:10.1016/j.chemphys.2010.07.033
194. I. Barth and J. Manz: Quantum Switching of Magnetic Fields by Circularly Polarized Re-optimized π Laser Pulses: From One-Electron Atomic Ions to Molecules, in "Progress in Ultrafast Intense Laser Science VI, Springer Series in Chemical Physics", Vol.: 99, 21-44, eds.: K. Yamanouchi, A. D. Bandrauk and G. Gerber (Springer, Berlin, 2010). DOI:10.1007/978-3-642-15054-8_2
195. D. Andrae, I. Barth, T. Bredtmann, H.-C. Hege, J. Manz, F. Marquardt and B. Paulus: Electronic Quantum Fluxes during Pericyclic Reactions Exemplified for the Cope Rearrangement of Semibullvalene, in Festschrift S. Mukamel, J. Phys. Chem. B 115, 5476-5483 (2011). DOI:10.1021/jp110365g
196. a) T. Bredtmann and J. Manz: Electronic Bond-to-Bond Fluxes in Pericyclic Reactions: Synchronous or Asynchronous?, Angew. Chem. Int. Ed. 50, 12652-12654 (2011). DOI:10.1002/anie.201104465
     b) T. Bredtmann and J. Manz: Elektronenflüsse zwischen benachbarten Bindungen bei perizyklischen Reaktionen: Synchron oder asynchron?, Angew. Chem. 123, 12863-12866 (2011). DOI:10.1002/ange.201104465
197. T. Bredtmann and J. Manz: Optimal Control of the Initiation of a Pericyclic Reaktion in the Electronic Ground State, in Festschrift N. Sathyamurthy, J. Chem. Sci. 124, 121-129 (2012). DOI:10.1007/s12039-011-0199-8
198. D. J. Diestler, A. Kenfack, J. Manz and B. Paulus: Coupled-Channels Quantum Theory of Electronic Flux Density in Electronically Adiabatic Processes: Application to the Hydrogen Molecule Ion, J. Phys. Chem. A 116, 2736-2742 (2012). DOI:10.1021/jp207844w
199. J. Manz and K. Yamamoto: A Selection Rule for the Directions of Electronic Fluxes during Unimolecular Pericyclic Reactions in the Electronic Ground State, in Festschrift W. H. Miller, Molec. Phys. 110, 517-530 (2012). DOI:10.1080/00268976.2011.648666
200. I. Barth, C. Bressler, S. Koseki and J. Manz: Strong Nuclear Ring Currents and Magnetic Fields in Pseudorotating OsH₄ Molecule induced by Circularly Polarized Laser Pulses, Chem. Asian J. 7, 1261-1295 (2012). DOI:10.1002/asia.201100776
201. T. Bredtmann, H. Kono, J. Manz, K. Nakamura and C. Stemmle: Nuclear Flux Densities During a Model Pericyclic Reaction With Energies Well Above and Below the Potential Barrier, ChemPhysChem 14, 1397-1404 (2013). DOI:10.1002/cphc.201200943
202. S. Belz, O. Deeb, L. González, T. Grohmann, D. Kinzel, M. Leibscher, J. Manz, R. Obaid, M. Oppel, G. D. Xavier and S. Zilberg: Nuclear Spin Selective Torsional States: Implications of Molecular Symmetry, in Festschrift H.-H. Limbach, Z. Phys. Chem. 227, 1021-1048 (2013). DOI:10.1524/zpch.2013.0385
203. T. Bredtmann, H. Katsuki, J. Manz, K. Ohmori and C. Stemmle: Wavepacket Interferometry for Nuclear Densities and Flux Densities, in Festschrift B. Friedrich, Molec. Phys. 111, 1691-1696 (2013). DOI:10.1080/00268976.2013.780103
204. T. Grohmann, J. Manz and A. Schild: Effects of Molecular Symmetry on the Directions of Nuclear Flux Densities During Tunneling in Double Well Potentials, in Festschrift M. Quack, Molec. Phys. 111, 2251-2262 (2013). DOI:10.1080/00268976.2013.800599
205. D. J. Diestler, A. Kenfack, J. Manz, B. Paulus, J. F. Pérez-Torres and V. Pohl: Computation of the Electronic Flux Density in the Born-Oppenheimer Approximation, J. Phys. Chem. A 117, 8519-8527 (2013). DOI:10.1021/jp4002302
206. J. Manz, J. F. Pérez-Torres and Y. Yang: Nuclear Fluxes in Diatomic Molecules Deduced from Pump-Probe Spectra with Spatiotemporal Resolutions down to 5 pm and 200 asec, Phys. Rev. Lett. 111, 153004(5) (2013). DOI:10.1103/PhysRevLett.111.153004
207. J. Manz, J. F. Pérez-Torres and Y. Yang: Vibrating H₂⁺ (²Σ_g⁺,JM=00) Ion as a Pulsating Quantum Bubble in the Laboratory Frame, in Festschrift W.A. Castleman, Jr., J. Phys. Chem. A 118, 8411-8425 (2014). DOI:10.1021/jp5017246
208. J. Manz, A. Schild, B. Schmidt and Y. Yang: Maximum Tunneling Velocities in Symmetric Double Well Potentials, Chem. Phys. 442, 9-17 (2014). DOI:10.1016/j.chemphys.2014.04.004
209. a) D. G. Fleming, J. Manz, K. Sato and T. Takayanagi: Fundamental Change in the Nature of Chemical Bonding by Isotopic Substitution, Angew. Chem. Int. Ed. 53, 13706-13709 (2014). DOI:10.1002/anie.201408211
     b) D. G. Fleming, J. Manz, K. Sato and T. Takayanagi: Über eine fundamentale Änderung der Art der chemischen Bindung durch Isotopensubstitution, Angew. Chem. 126, 13925-13929 (2014). DOI:10.1002/ange.201408211
210. I. Barth, C. Daniel, E. Gindensperger, J. Manz, J. F. Pérez-Torres, A. Schild, C. Stemmle, D. Sulzer and Y. Yang: Intramolecular Nuclear Flux Densities, Advances in Multi-Photon Processes and Spectroscopy vol. 22, 59-109 (2015). (Eds: S. H. Lin, A. A. Villaeys and Y. Fujimura, World Scientific, Singapore). DOI:0.1142/9789814619042_0002
211. C. Liu, J. Manz and Y. Yang: Laser Sculpting of Atomic sp, sp² and sp³ Hybrid Orbitals, ChemPhysChem 16, 191-196 (2015). DOI:10.1002/cphc.201402588
212. J. Manz, K. Sato, T. Takayanagi and T. Yoshida: From Photoelectron Detachment Spectra of BrHBr^- and IHI^-, IDI^- to Vibrational Bonding of BrMuBr and IMuI, J. Chem. Phys. 142, 164308 (2015). DOI:10.1063/1.4918980
213. C. Liu, J. Manz and Y. Yang: Nuclear Fluxes During Coherent Tunneling in Asymmetric Double Well Potentials, in special memorial issue for M. Shapiro, J. Phys. B 48, 164001 (2015). DOI:10.1088/0953-4075/48/16/164001
214. T. Bredtmann, D. J. Diestler, S.-D. Li, J. Manz, J. F. Pérez-Torres, W.-J. Tian, Y.-B. Wu, Y. Yang and H.-J. Zhai: Quantum Theory of Concerted Electronic and Nuclear Fluxes Associated With Adiabatic Intramolecular Processes, Phys. Chem. Chem. Phys. 17, 29421-29464 (2015). DOI:10.1039/C5CP03982G
215. C. Liu, J. Manz and Y. Yang: Staircase Patterns of Nuclear Fluxes During Coherent Tunneling in Excited Doublets of Symmetric Double Well Potentials, Phys. Chem. Chem. Phys. 18, 5048-5055 (2016). DOI:10.1039/C5CP06935A
216. T. Bredtmann, J. Manz, and J.-M. Zhao: Concerted Electronic and Nuclear Fluxes During Coherent Tunnelling in Asymmetric Double-Well Potentials, J. Phys. Chem. A 120, 3142-3154 (2016). DOI:10.1021/acs.jpca.5b11295
217. G. Hermann, C. Liu, J. Manz, B. Paulus, J. F. Pérez-Torres, V. Pohl, and J. C. Tremblay: Multidirectional Angular Electronic Flux during Adiabatic Attosecond Charge Migration in Excited Benzene, J. Phys. Chem. A 120, 5360-5369 (2016). DOI:10.1021/acs.jpca.6b01948
218. D. Jia, J. Manz, B. Paulus, V. Pohl, J. C. Tremblay, Y. Yang: Quantum control of electronic fluxes during adiabatic attosecond charge migration in degenerate superposition states of benzene, in Festschrift L. S. Cederbaum, Chem. Phys. 482, 146-159 (2017). DOI: 10.1016/j.chemphys.2016.09.021
219. D. Jia, J. Manz, Y. Yang, Generation of electronic flux during the femtosecond π/2 laser pulse tailored to induce adiabatic attosecond charge migration in HCCI⁺, J. Mod. Opt. 64, 960-970 (2017). DOI:10.1080/09500340.2016.1269216
220. G. Hermann, C. Liu, J. Manz, B. Paulus, V. Pohl, J. C. Tremblay: Attosecond Angular Flux of Partial Charges on the Carbon Atoms of Benzene in Non-Aromatic Excited State, in Special Memorial Issue for A. H. Zewail, Chem. Phys. Lett. 683, 553-558 (2017). DOI:10.1016/j.cplett.2017.01.030
221. H. Ding, D. Jia, J. Manz, Y. Yang, Reconstruction of the electronic flux during adiabatic attosecond charge migration in HCCI⁺, in Festschrift A. D. Bandrauk, Molec. Phys. 115, 1813-1825 (2017). DOI:10.1080/00268976.2017.1287967
222. D. J. Diestler, G. Hermann and J. Manz: Charge Migration in Eyring, Walter and Kimball's 1944 Model of the Electronically Excited Hydrogen-Molecule Ion, J. Phys. Chem. A 121, 5332-5340 (2017). DOI:10.1021/acs.jpca.7b04714
223. D. Jia, J. Manz and Y. Yang: Communication: Electronic Flux Induced by Crossing the Transition State, J. Chem. Phys. 148, 041101 (4pp) (2018). DOI: 10.1063/1.5018236
224. D. J. Diestler, D. Jia, J. Manz and Y. Yang: Na₂ Vibrating in the Double-Well Potential of State 2 ¹Σ_u⁺ (JM = 00): A Pulsating "Quantum Bubble" with Antagonistic Electronic Flux, in Festschrift O. Mó and M. Yáñez, J. Phys. Chem. A 122, 2150-2159 (2018). DOI:10.1021/acs.jpca.7b11732
225. D. Jia, J. Manz and Y. Yang: From coherent quasi-irreversible quantum dynamics towards the second law of thermodynamics: The model boron rotor B₁₃⁺, AIP Advances 8, 045222 (2018). DOI:10.1063/1.5028573
226. T. Grohmann and J. Manz: On the impossibility of localised states for molecular rotors with cyclic potentials, Molec. Phys. 116, 2538-2555 (2018). DOI:10.1080/00268976.2018.1473651
227. C. Liu, J. Manz, K. Ohmori, C. Sommer, N. Takei, J. C. Tremblay, and Y. Zhang: Attosecond Control of Restoration of Electronic Structure Symmetry, Phys. Rev. Lett. 121, 173201 (2018). DOI:10.1103/PhysRevLett.121.173201
228. D. J. Diestler, J. Manz and J. F. Pérez-Torres: Comparison of approximate methods for computation of the concerted adiabatic electronic and nuclear fluxes in aligned H₂⁺ (²Σ_g⁺), Chem. Phys. 514, 67-77 (2018). DOI:10.1016/j.chemphys.2018.05.026
229. T. Grohmann, D. Haase, D. Jia, J. Manz, and Y. Yang: Nuclear spin blockade of laser ignition of intramolecular rotation in the model boron rotor ¹¹B₁₃⁺, J. Chem. Phys. 149, 184302 (2018). DOI:10.1063/1.5048358
230. C. Liu, J. Manz and J. C. Tremblay: From Molecular Symmetry Breaking to Symmetry Restoration by Attosecond Quantum Control, in: "Progress in Ultrafast Intense Laser Science" (Springer Series in Chemical Physics, Eds: K. Yamanouchi et al.). 117-141 (2018). DOI:10.1007/978-3-030-03786-4
231. a) C. Liu, J. Manz and J. C. Tremblay: Molecules in Confinement in Clusters, Quantum Solvents and Matrices: General Discussion: Laser Control of Symmetry Breaking and Restoration in Electronic Ground and Excited States, Faraday Discuss. 212, 569 (2018). DOI:10.1039/c8fd90053a
     b) C. Liu, J. Manz and J. C. Tremblay: From Symmetry Breaking via Charge Migration to Symmetry Restoration in Electronic Ground and Excited States: Quantum Control on the Attosecond Time Scale, Appl. Sci. 9, 953 (2019). DOI:10.3390/app9050953
232. D. Jia, J. Manz and Y. Yang: De- and Recoherence of Charge Migration in Ionized Iodoacetylene, J. Phys. Chem. Lett. 10, 4273-4277 (2019). DOI:10.1021/acs.jpclett.9b01687
233. D. Jia, J. Manz and Y. Yang: Timing the recoherences of attosecond electronic charge migration by quantum control of femtosecond nuclear dynamics: A case study for HCCI⁺, J. Chem. Phys. 151, 244306 (2019). DOI:10.1063/1.5134665
234. D. Haase, J. Manz and J. C. Tremblay: Attosecond Charge Migration Can Break Electron Symmetry While Conserving Nuclear Symmetry, J. Phys. Chem. A 124, 3329-3334 (2020). DOI:10.1021/acs.jpca.0c00404
235. D. Jia, J. Manz, A. Schild, V. Svoboda and Y. Yang: From Nuclear Fluxes During Tunnelling to Electronic Fluxes During Charge Migration, in: Tunnelling in Molecules: Nuclear Quantum Effects from Bio to Physical Chemistry, Eds. J. Kaestner and S. Kozuch (Royal Soc. Chem., London) Theor. Comp. Chem. 18, 167-169 (2021). DOI:10.1039/9781839160370
236. D. Haase, G. Hermann, J. Manz, V. Pohl and J. C. Tremblay: Electron Symmetry Breaking during Attosecond Charge Migration Induced by Laser Pulses: Point Group Analyses for Quantum Dynamics, Symmetry 13, 205 (2021). DOI:10.3390/sym13020205
237. C. Liu, J. Manz and J. C. Tremblay : Laser-Induced Electron Symmetry Restoration in Oriented Molecules Made Simple, J. Phys. Chem. Lett. 12, 4421-4427 (2021). DOI:10.1021/acs.jpclett.1c00645
238. M. Dimitrova, D. Jia, J. Manz and D. Sundholm: Nuclear versus electronic ring currents in oriented torsional molecules induced by magnetic fields. II. Electronic currents of toluene, Phys. Rev. A 106, 042802 (2022). DOI:10.1103/PhysRevA.106.042802
239. C. Liu, J. Manz, H. Wang and Y. Yang: Quantum Engineering of Helical Charge Migration in HCCI, Chin. Phys. Lett. 39, 123402 (2022). DOI:10.1088/0256-307X/39/12/123402
240. H. Ma, J. Manz, H. Wang, Y. Yan and Y. Yang: Ultrafast laser induced charge migration with de- and re-coherences in polyatomic molecules: A general method with application to pyrene, J. Chem. Phys. 158, 124306 (2023). DOI:10.1063/5.0141631
241. Y. Chen, D. Haase, J. Manz, H. Wang and Y. Yang: From chiral laser pulses to femto- and attosecond electronic chirality flips in achiral molecules, Nature Comm. 15, 565 (2024). DOI:10.1038/s41467-024-44807-0

Publications under Chinese pseudonym Yuan Man

1. L. Wang, C. Li, H. Zhang, Y. Yang, Y. Man, J. Zhao and S. Jia: Using experimental measurements of three-level avoided crossings to determine the quantum defect for the Stark map of highly excited cesium Rydberg atoms, Phys. Rev. A 93, 033416 (2016). DOI:10.1103/PhysRevA.93.033416
2. Y. Yan, D. Jia, Y. Wang, H. Zhai, Y. Man and S. Li: A universal mechanism of the planar boron rotors B₁₁ ^-, B₁₃ ⁺, B₁₅ ⁺, and B₁₉ ^-: inner wheels rotating in pseudo-rotating outer bearings, Nanoscale 9, 1443-1448 (2017). DOI:10.1039/C6NR09074E
3. X.-Q. Lu, Y. Man, V. Ruß, Y. Xu, Y. Yang and S.-D. Li: The unified quantum mechanical structure of tubular molecular rotors with multiple equivalent global minimum structures: the 18*C_2h → D_9d case of La-[B₂@B₁₈]-La, Phys. Chem. Chem. Phys. 23, 19146-19149 (2021). DOI:10.1039/d1cp02980k
4. H. Yang, Y. Man, H. Wang and Y. Yang: Spreading probability distribution and increase of entropy due to coherent quantum dynamics: Proof-of-principle for a model molecular boron rotor. Chem. Phys. 562, 111659 (2022). DOI:10.1016/j.chemphys.2022.111659
5. D. Jia, M. Dimitrova, Y. Man, D. Sundholm and Y. Yang: Nuclear versus electronic ring currents in oriented torsional molecules induced by magnetic fields. I. Nuclear currents of toluene, Phys. Rev. A 106, 042801 (2022). DOI:10.1103/PhysRevA.106.042801
6. B.-B. Pei, H. Yang, C.-Y. Gao, Y. Man, Y. Yang, S.-D. Li: Restriction on molecular fluxionality by substitution: A case study for the 1,10-dicyanobullvalene, J. Comp. Chem. (2024). DOI:10.1002/jcc.27379

Last revision: 2024-05-16 (Burkhard Schmidt)