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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 molecules
Daniel Opalka, Wolfgang Domcke
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 Models
Sebastian 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 Chromophore
Xiang 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 intersections
Shohei Yamazaki, Wolfgang Domcke
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
April 14, 2011
Effect of the chirality of residues and γ-turns on the electronic excitation spectra, excited-state reaction paths and conical intersections of capped phenylalanine-alanine dipeptides
Dorit Shemesh, Wolfgang Domcke
The Journal of Physical Chemistry. A
|
April 27, 2022
Ab Initio Electronic Structure Study of the Photoinduced Reduction of Carbon Dioxide with the Heptazinyl Radical
Sebastian Pios, Wolfgang Domcke
The Journal of Chemical Physics
|
June 21, 2013
Interpolation of multi-sheeted multi-dimensional potential-energy surfaces via a linear optimization procedure
Daniel Opalka, Wolfgang Domcke
Physical Chemistry Chemical Physics : PCCP
|
December 10, 2015
Excited-state deactivation in 8-oxo-deoxyguanosine: comparison between anionic and neutral forms
Deniz Tuna, Wolfgang Domcke
The Journal of Chemical Physics
|
November 17, 2017
Accuracy of trajectory surface-hopping methods: Test for a two-dimensional model of the photodissociation of phenol
Weiwei Xie, Wolfgang Domcke
Physical Chemistry Chemical Physics : PCCP
|
June 21, 2022
<i>Ab initio</i> trajectory surface-hopping dynamics studies of excited-state proton-coupled electron transfer reactions in trianisoleheptazine-phenol complexes
Xiang Huang, Wolfgang Domcke
Page
of 16
Search research articles
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Showing results (1-10 of 158) with videos related to
Sort By:
Page
of 16
The Journal of Chemical Physics
|
April 29, 2010
High-order expansion of T(2)xt(2) Jahn-Teller potential-energy surfaces in tetrahedral molecules
Daniel Opalka, Wolfgang Domcke
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 Models
Sebastian 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 Chromophore
Xiang 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 intersections
Shohei Yamazaki, Wolfgang Domcke
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
April 14, 2011
Effect of the chirality of residues and γ-turns on the electronic excitation spectra, excited-state reaction paths and conical intersections of capped phenylalanine-alanine dipeptides
Dorit Shemesh, Wolfgang Domcke
The Journal of Physical Chemistry. A
|
April 27, 2022
Ab Initio Electronic Structure Study of the Photoinduced Reduction of Carbon Dioxide with the Heptazinyl Radical
Sebastian Pios, Wolfgang Domcke
The Journal of Chemical Physics
|
June 21, 2013
Interpolation of multi-sheeted multi-dimensional potential-energy surfaces via a linear optimization procedure
Daniel Opalka, Wolfgang Domcke
Physical Chemistry Chemical Physics : PCCP
|
December 10, 2015
Excited-state deactivation in 8-oxo-deoxyguanosine: comparison between anionic and neutral forms
Deniz Tuna, Wolfgang Domcke
The Journal of Chemical Physics
|
November 17, 2017
Accuracy of trajectory surface-hopping methods: Test for a two-dimensional model of the photodissociation of phenol
Weiwei Xie, Wolfgang Domcke
Physical Chemistry Chemical Physics : PCCP
|
June 21, 2022
<i>Ab initio</i> trajectory surface-hopping dynamics studies of excited-state proton-coupled electron transfer reactions in trianisoleheptazine-phenol complexes
Xiang Huang, Wolfgang Domcke
Page
of 16