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51

Microscopic modelling of photoisomerization and internal-conversion dynamics

Luis Seidner, Wolfgang Domcke

Journal:

Chemical Physics

Year:

1994

Language:

english

File:

PDF, 1.61 MB

english, 1994

52

Path-integral treatment of the real-time dynamics of few-mode spin-boson models

Heiko Plöhn, Stefan Krempl, Manfred Winterstetter, Wolfgang Domcke

Journal:

Chemical Physics

Year:

1995

Language:

english

File:

PDF, 653 KB

english, 1995

53

Real-time path-integral approach for general two-state multi-mode vibronic-coupling models

Stefan Krempl, Wolfgang Domcke, Manfred Winterstetter

Journal:

Chemical Physics

Year:

1996

Language:

english

File:

PDF, 841 KB

english, 1996

54

Relativistic T × T and T × E Jahn–Teller coupling in tetrahedral systems

Leonid V. Poluyanov, Wolfgang Domcke

Journal:

Chemical Physics

Year:

2010

Language:

english

File:

PDF, 256 KB

english, 2010

55

Theoretical study of vibrational wave-packet dynamics in electron-transfer systems

Michael Thoss, Wolfgang Domcke, Haobin Wang

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 1.42 MB

english, 2004

56

The relativistic E × E Jahn–Teller effect revisited

Wolfgang Domcke, Sabyashachi Mishra, Leonid V. Poluyanov

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 160 KB

english, 2006

57

Simulation of the photodetachment spectrum of the pyrrolide anion

Andreas Motzke, Zhenggang Lan, Clemens Woywod, Wolfgang Domcke

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 811 KB

english, 2006

58

Quasistationary upper-well states of E × E Jahn–Teller systems with spin-orbit coupling

Leonid V. Poluyanov, Sabyashachi Mishra, Wolfgang Domcke

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 275 KB

english, 2007

59

Analysis of vibrational coherences in homodyne and two-dimensional heterodyne photon-echo spectra of Nile Blue

Dassia Egorova, Maxim F. Gelin, Wolfgang Domcke

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 303 KB

english, 2007

60

The 3E × E, 4E × E and 5E × E Jahn–Teller Hamiltonians of trigonal systems

Leonid V. Poluyanov, Wolfgang Domcke

Journal:

Chemical Physics

Year:

2008

Language:

english

File:

PDF, 261 KB

english, 2008

61

Coherent vibrational dynamics during ultrafast photoinduced electron-transfer reactions: quantum dynamical simulations within multilevel Redfield theory

Dassia Egorova, Wolfgang Domcke

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 396 KB

english, 2004

62

A study of spin–orbit vibronic-coupling effects in the state of CCX (X = O, S, Se) and CNY (Y = N, P, As)

Sabyashachi Mishra, Wolfgang Domcke, Leonid V. Poluyanov

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 161 KB

english, 2007

63

Computational studies of the photophysics of neutral and zwitterionic glycine in an aqueous environment: The glycine–(H2O)2 cluster

Andrzej L. Sobolewski, Wolfgang Domcke

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 458 KB

english, 2008

64

Ab initio study of the energetics of photoinduced electron and proton transfer processes in a bio-inspired model of photochemical water splitting

Andrzej L. Sobolewski, Wolfgang Domcke

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 393 KB

english, 2009

65

Photophysics of the Trp-Gly dipeptide: Role of electron and proton transfer processes for efficient excited-state deactivation

Dorit Shemesh, Christof Hättig, Wolfgang Domcke

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 790 KB

english, 2009

66

High-order expansion of Jahn–Teller potential-energy surfaces in tetrahedral systems

Daniel Opalka, Wolfgang Domcke

Journal:

Chemical Physics Letters

Year:

2010

Language:

english

File:

PDF, 385 KB

english, 2010

67

Quantum dynamical simulations of ultrafast photoinduced electron-transfer processes

Dassia Egorova, Wolfgang Domcke

Journal:

Journal of Photochemistry and Photobiology A: Chemistry

Year:

2004

Language:

english

File:

PDF, 633 KB

english, 2004

68

Photoinduced multi-mode quantum dynamics of pyrrole at the – conical intersections

Zhenggang Lan, Arnaud Dupays, Valérie Vallet, Susanta Mahapatra, Wolfgang Domcke

Journal:

Journal of Photochemistry and Photobiology A: Chemistry

Year:

2007

Language:

english

File:

PDF, 996 KB

english, 2007

69

1 1Bu–2 1Ag conical intersection in trans-butadiene: ultrafast dynamics and optical spectra

Robert P. Krawczyk, Karsten Malsch, Georg Hohlneicher, Ralph C. Gillen, Wolfgang Domcke

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 159 KB

english, 2000

70

Potential-energy function for intramolecular proton transfer in the malonaldehyde cation

Andrzej L. Sobolewski, Wolfgang Domcke

Journal:

Chemical Physics Letters

Year:

1999

Language:

english

File:

PDF, 106 KB

english, 1999

71

Ab initio investigations on the photophysics of indole

Andrzej L. Sobolewski, Wolfgang Domcke

Journal:

Chemical Physics Letters

Year:

1999

Language:

english

File:

PDF, 129 KB

english, 1999

72

Conical intersections induced by repulsive 1πσ* states in planar organic molecules: malonaldehyde, pyrrole and chlorobenzene as photochemical model systems

Andrzej L Sobolewski, Wolfgang Domcke

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 266 KB

english, 2000

73

Effect of a dissipative environment on the dynamics at a conical intersection

Axel Kühl, Wolfgang Domcke

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 251 KB

english, 2000

74

Modeling of ultrafast electron-transfer dynamics: multi-level Redfield theory and validity of approximations

Dassia Egorova, Axel Kühl, Wolfgang Domcke

Journal:

Chemical Physics

Year:

2001

Language:

english

File:

PDF, 405 KB

english, 2001

75

Ab initio investigation of the potential energy surfaces involved in the photophysics of s-trans-1,3-butadiene

Bojana Ostojić, Wolfgang Domcke

Journal:

Chemical Physics

Year:

2001

Language:

english

File:

PDF, 178 KB

english, 2001

76

Theoretical investigation of Ã 2Σg+–X 2Πu vibronic-coupling and ultrafast internal-conversion dynamics in the acetylene cation

Ralph C. Gillen, Bojana Ostojic, Wolfgang Domcke

Journal:

Chemical Physics

Year:

2001

Language:

english

File:

PDF, 328 KB

english, 2001

77

Preface

Wolfgang Domcke, Peter Hänggi, David Tannor

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 57 KB

english, 1997

78

Ab initio study of excited-state intramolecular proton dislocation in salicylic acid

Andrzej L. Sobolewski, Wolfgang Domcke

Journal:

Chemical Physics

Year:

1998

Language:

english

File:

PDF, 176 KB

english, 1998

79

Mechanism of photoinduced intramolecular charge transfer in aminobenzethynes: an ab initio study

Andrzej L. Sobolewski, Wolfgang Domcke

Journal:

Journal of Photochemistry and Photobiology A: Chemistry

Year:

1997

Language:

english

File:

PDF, 587 KB

english, 1997

80

Charge transport through a flexible molecular junction

Martin Čížek, Michael Thoss, Wolfgang Domcke

Journal:

Czechoslovak Journal of Physics

Year:

2005

Language:

english

File:

PDF, 293 KB

english, 2005

81

Intramolecular electron-transfer dynamics in the inverted regime: quantum mechanical multi-mode model including dissipation

Brigitte Wolfseder, Wolfgang Domcke

Journal:

Chemical Physics Letters

Year:

1996

Language:

english

File:

PDF, 431 KB

english, 1996

82

Promotion of intramolecular charge transfer in dimethylamino derivatives: twisting versus acceptor-group rehybridization

Andrzej L. Sobolewski, Wolfgang Domcke

Journal:

Chemical Physics Letters

Year:

1996

Language:

english

File:

PDF, 664 KB

english, 1996

83

Study of strong Σ–Π and spin–orbit vibronic coupling effects in linear triatomic molecules

Sabyashachi Mishra, Wolfgang Domcke, Leonid V. Poluyanov

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 338 KB

english, 2006

84

Role of vibrational energy relaxation in the photoinduced nonadiabatic dynamics of pyrrole at the conical intersection

Zhenggang Lan, Wolfgang Domcke

Journal:

Chemical Physics

Year:

2008

Language:

english

File:

PDF, 2.10 MB

english, 2008

85

First-principles study of photoinduced electron-transfer dynamics in a Mg–porphyrin–quinone complex

Raffaele Borrelli, Wolfgang Domcke

Journal:

Chemical Physics Letters

Year:

2010

Language:

english

File:

PDF, 332 KB

english, 2010

86

Photoejection of electrons from pyrrole into an aqueous environment: ab initio results on pyrrole-water clusters

Andrzej L Sobolewski, Wolfgang Domcke

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 255 KB

english, 2000

87

Photoinduced charge separation in indole–water clusters

Andrzej L. Sobolewski, Wolfgang Domcke

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 270 KB

english, 2000

88

Ab initio study of the amino group twisting and wagging reaction paths in the intramolecular charge transfer of 4-(N,N-dimethylamino)benzonitrile

Wibke Sudholt, Andrzej L Sobolewski, Wolfgang Domcke

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 211 KB

english, 1999

89

Role of Conical Intersections in Molecular Spectroscopy and Photoinduced Chemical Dynamics

Domcke, Wolfgang, Yarkony, David R.

Journal:

Annual Review of Physical Chemistry

Year:

2012

Language:

english

File:

PDF, 1.25 MB

english, 2012

90

Femtosecond time-resolved ionization spectroscopy of ultrafast internal-conversion dynamics in polyatomic molecules: Theory and computational studies

Seel, Matthias, Domcke, Wolfgang

Journal:

The Journal of Chemical Physics

Year:

1991

Language:

english

File:

PDF, 1.74 MB

english, 1991

91

Ab initio studies on the photophysics of the guanine–cytosine base pair

Sobolewski, Andrzej L., Domcke, Wolfgang

Journal:

Physical Chemistry Chemical Physics

Year:

2004

Language:

english

File:

PDF, 624 KB

english, 2004

92

ChemInform Abstract: Efficient Excited-State Deactivation in Organic Chromophores and Biologically Relevant Molecules: Role of Electron and Proton Transfer Processes

Andrzej L. Sobolewski, Wolfgang Domcke

Journal:

Year:

2012

File:

PDF, 18 KB

2012

93

Jahn–Teller and spin–orbit coupling effects in transition-metal trifluorides

Padmabati Mondal, Daniel Opalka, Leonid V. Poluyanov, Wolfgang Domcke

Journal:

Chemical Physics

Year:

2011

Language:

english

File:

PDF, 747 KB

english, 2011

94

Jahn-Teller, pseudo-Jahn-Teller, and spin-orbit coupling Hamiltonian of a d electron in an octahedral environment

Poluyanov, Leonid V., Domcke, Wolfgang

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 835 KB

english, 2012

95

Photophysics of intramolecularly hydrogen-bonded aromatic systems: ab initio exploration of the excited-state deactivation mechanisms of salicylic acid

Sobolewski, Andrzej L., Domcke, Wolfgang

Journal:

Physical Chemistry Chemical Physics

Year:

2006

Language:

english

File:

PDF, 659 KB

english, 2006

96

Role of Electron-Driven Proton-Transfer Processes in the Excited-State Deactivation of the Adenine−Thymine Base Pair

Perun, Serhiy, Sobolewski, Andrzej L., Domcke, Wolfgang

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 324 KB

english, 2006

97

High-order expansion of T[sub 2]×t[sub 2] Jahn–Teller potential-energy surfaces in tetrahedral molecules

Opalka, Daniel, Domcke, Wolfgang

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 941 KB

english, 2010

98

Relativistic Jahn–Teller and pseudo-Jahn–Teller couplings in systems

Leonid V. Poluyanov, Wolfgang Domcke

Journal:

Chemical Physics

Year:

2012

Language:

english

File:

PDF, 252 KB

english, 2012

99

Computational studies of aqueous-phase photochemistry and the hydrated electron in finite-size clusters

Sobolewski, Andrzej L., Domcke, Wolfgang

Journal:

Physical Chemistry Chemical Physics

Year:

2007

Language:

english

File:

PDF, 1.11 MB

english, 2007

100

Peptide deactivation: Spectroscopy meets theory

Domcke, Wolfgang, Sobolewski, Andrzej L.

Journal:

Nature Chemistry

Year:

2013

Language:

english

File:

PDF, 300 KB

english, 2013