Prof. Dr. Wolfgang Domcke

 

Personal Academic Curriculum vitae 1972   1975   1979   1982   1986     1996   1999 Diploma in physics     Technical University of Munich PhD (Dr. rer. nat.)     Technical University of Munich Habilitation in theoretical physics     University of Freiburg Associate professor of theoretical chemistry     University of Heidelberg Associate professor of physical and theoretical chemistry     Technical University of Munich Professor of theoretical chemistry (chair)     Heinrich-Heine-University of Düsseldorf Professor of theoretical chemistry (chair)     Technical University of Munich

Numerical methods for molecular quantum wave-packet dynamics and density-matrix evolution

Ab initio exploration of excited-state potential-energy surfaces and photochemical reaction paths of molecules and clusters

Dynamics at conical intersections of electronic potential-energy surfaces: femtochemistry and spectroscopy

Theory of femtosecond time-resolved nonlinear spectroscopy

Spin-orbit vibronic coupling in Jahn-Teller and Renner systems

recent publications

T. Schultz, E. Samoylova, W. Radloff, I. V. Hertel, A. L. Sobolewski and W. Domcke, Efficient deactivation of a model base pair via excited-state hydrogen transfer, Science, 306 (2004) 1765

S. Perun, A. L. Sobolewski and W. Domcke, Ab initio studies on the radiationless decay mechanisms of the lowest excited states of 9H-adenine, J. Am. Chem. Soc., 127 (2005) 6257

Z. Lan, V. Vallet, S. Mahapatra, A. L. Sobolewski and W. Domcke, Time-dependent quantum wave-packet description of the ^1* photochemistry of phenol, J. Chem. Phys., 122 (2005) 224315

V. Vallet, Z. Lan, S. Mahapatra, A. L. Sobolewski and W. Domcke, Photochemistry of pyrrole: time-dependent quantum wave-packet description of the dynamics at the ^1*-S₁ conical intersections, J. Chem. Phys., 123 (2005) 144307

A. L. Sobolewski, W. Domcke and C. Hättig, Tautomeric selectivity of the excited-state lifetime of guanine-cytosine base pairs: the role of electron and proton transfer processes, Proc. Natl. Acad. Sci. USA, 102 (2005) 17903

S. Mishra, V. Vallet, L. V. Poluyanov and W. Domcke, Spectroscopic effets of first-order relativistic vibronic coupling in linear triatomic molecules, J. Chem. Phys., 123 (2005) 124104

M. F. Gelin, D. Egorova and W. Domcke, Efficient method for the calculation of time- and frequency-resolved four-wave-mixing signals and its application to photon echo spectroscopy, J. Chem. Phys., 123 (2005) 124112

A. L. Sobolewski and W. Domcke, Relevance of electron-driven proton-transfer processes for the photostability of proteins, ChemPhysChem, 7 (2006) 561

A. L. Sobolewski, W. Domcke and C. Hättig, Photophysics of organic photostabilizers: ab initio study of the excited-state deactivation mechanisms of 2-(2'-hydroxyphenyl) benzotriazole, J. Phys. Chem. A, 110 (2006) 6301

A. Viel, W. Eisfeld, S. Neumann, W. Domcke and U. Manthe, Photoionization-induced dynamics of ammonia: ab initio potential energy surfaces and time-dependent quantum wave-packet calculations for the ammonia cation, J. Chem. Phys., 124 (2006) 214316

A. L. Sobolewski and W. Domcke, The chemical physics of the photostability of life, Europhysicsnews, 37 (2006) 20

A. L. Sobolewski and W. Domcke, Computational studies of aqueous-phase photochemistry and the hydrated electron in finite-size clusters, Phys. Chem. Chem. Phys., 9 (2007) 3818

A. L. Sobolewski and W. Domcke, Computational studies of the photophysics of hydrogen-bonded molecular systems, J. Phys. Chem. A, 111 (2007) 11725

Z. Lan, L. M. Frutos, A. L. Sobolewski and W. Domcke, Photochemistry of hydrogen-bonded aromatic pairs: quantum dynamical calculations for the pyrrole-pyridine complex, Proc. Natl. Acad. Sci. USA, 105 (2008) 12707

S. Yamazaki and W. Domcke, Ab initio studies on the photophysics of guanine tautomers: out-of-plane deformation and NH dissociation pathways to conical intersections, J. Phys. Chem. A, 112 (2008) 7090

A. L. Sobolewski and W. Domcke, Computational model of photocatalytic water spltting, J. Phys. Chem. A, 112 (2008) 7311

L. V. Poluyanov and W. Domcke, Relativistic ExT Jahn-Teller effect in tetrahedral systems, J. Chem. Phys., 129 (2008) 224102

D. Shemesh, A. L. Sobolewski and W. Domcke, Efficient excited-state deactivation of the Gly-Phe-Ala tripeptide via an electron-driven proton-transfer process, J. Am. Chem. Soc., 131 (2009) 1374

M. F. Gelin, D. Egorova and W. Domcke, Efficient calculation of time- and frequency-resolved four-wave-mixing signals, Acc. Chem. Res., in press

for more please see complete publications