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The Journal of Chemical Physics|April 29, 2010
High-order expansion of T(2)xt(2) Jahn-Teller potential-energy surfaces in tetrahedral moleculesDaniel Opalka, Wolfgang Domcke
The Journal of Chemical Physics|June 21, 2013
Interpolation of multi-sheeted multi-dimensional potential-energy surfaces via a linear optimization procedureDaniel Opalka, Wolfgang Domcke
The Journal of Physical Chemistry Letters|August 2, 2018
Mechanism of Photocatalytic Water Oxidation by Graphitic Carbon NitrideJohannes Ehrmaier, Wolfgang Domcke, Daniel Opalka
The Journal of Chemical Physics|April 3, 2016
Relativistic theory of the Jahn-Teller effect: p-orbitals in tetrahedral and trigonal systemsWolfgang Domcke, Daniel Opalka, Leonid V Poluyanov
The Journal of Chemical Physics|September 22, 2011
Relativistic Jahn-Teller effects in the photoelectron spectra of tetrahedral P4, As4, Sb4, and Bi4Daniel Opalka, Leonid V Poluyanov, Wolfgang Domcke
The Journal of Chemical Physics|March 3, 2012
Ab initio study of dynamical E × e Jahn-Teller and spin-orbit coupling effects in the transition-metal trifluorides TiF3, CrF3, and NiF3Padmabati Mondal, Daniel Opalka, Leonid V Poluyanov, et al.
The Journal of Physical Chemistry. A|September 11, 2014
The (E + A) × (e + a) Jahn-Teller and pseudo-Jahn-Teller Hamiltonian including spin-orbit coupling for trigonal systemsSwarnendu Bhattacharyya, Daniel Opalka, Leonid V Poluyanov, et al.
The Journal of Physical Chemistry. A|April 6, 2023
Reduction of CO<sub>2</sub> with Hydrated Electrons: Ab Initio Computational Studies for Finite-Size Cluster ModelsSebastian Pios, Wolfgang Domcke
The Journal of Physical Chemistry. A|November 8, 2021
Ab Initio Nonadiabatic Surface-Hopping Trajectory Simulations of Photocatalytic Water Oxidation and Hydrogen Evolution with the Heptazine ChromophoreXiang Huang, Wolfgang Domcke
The Journal of Physical Chemistry. A|July 11, 2008
Ab initio studies on the photophysics of guanine tautomers: out-of-plane deformation and NH dissociation pathways to conical intersectionsShohei Yamazaki, Wolfgang Domcke
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