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Journal of Chemical Theory and Computation
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May 5, 2016
Toward Chemical Accuracy in the Description of Ion-Water Interactions through Many-Body Representations. I. Halide-Water Dimer Potential Energy Surfaces
Pushp Bajaj, Andreas W Götz, Francesco Paesani
The Journal of Chemical Physics
|
March 18, 2014
Calculation of nuclear spin-spin coupling constants using frozen density embedding
Andreas W Götz, Jochen Autschbach, Lucas Visscher
Physical Chemistry Chemical Physics : PCCP
|
October 7, 2016
The i-TTM model for ab initio-based ion-water interaction potentials. II. Alkali metal ion-water potential energy functions
Marc Riera, Andreas W Götz, Francesco Paesani
The Journal of Chemical Physics
|
March 15, 2013
Bond energy decomposition analysis for subsystem density functional theory
S Maya Beyhan, Andreas W Götz, Lucas Visscher
Journal of Chemical Theory and Computation
|
November 26, 2015
Performance of Kinetic Energy Functionals for Interaction Energies in a Subsystem Formulation of Density Functional Theory
Andreas W Götz, S Maya Beyhan, Lucas Visscher
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
March 27, 2003
A quantum chemical study of racemization pathways in substituted chrysene derivatives
Carsten Kind, Andreas W Götz, Bernd A Hess
Journal of Computational Chemistry
|
June 18, 2005
Optimization of auxiliary basis sets for the LEDO expansion and a projection technique for LEDO-DFT
Andreas W Götz, Christian Kollmar, Bernd A Hess
Current Opinion in Structural Biology
|
July 2, 2022
Computer-aided drug design, quantum-mechanical methods for biological problems
Madushanka Manathunga, Andreas W Götz, Kenneth M Merz
Inorganic Chemistry
|
January 9, 2018
A Water Dimer Shift Activates a Proton Pumping Pathway in the P<sub>R</sub> → F Transition of ba<sub>3</sub> Cytochrome c Oxidase
Wen-Ge Han Du, Andreas W Götz, Louis Noodleman
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
February 10, 2022
DFT Calculations for Mössbauer Properties on Dinuclear Center Models of the Resting Oxidized Cytochrome c Oxidase
Wen-Ge Han Du, Andreas W Götz, Louis Noodleman
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of 7
Search research articles
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Showing results (1-10 of 68) with videos related to
Sort By:
Page
of 7
Journal of Chemical Theory and Computation
|
May 5, 2016
Toward Chemical Accuracy in the Description of Ion-Water Interactions through Many-Body Representations. I. Halide-Water Dimer Potential Energy Surfaces
Pushp Bajaj, Andreas W Götz, Francesco Paesani
The Journal of Chemical Physics
|
March 18, 2014
Calculation of nuclear spin-spin coupling constants using frozen density embedding
Andreas W Götz, Jochen Autschbach, Lucas Visscher
Physical Chemistry Chemical Physics : PCCP
|
October 7, 2016
The i-TTM model for ab initio-based ion-water interaction potentials. II. Alkali metal ion-water potential energy functions
Marc Riera, Andreas W Götz, Francesco Paesani
The Journal of Chemical Physics
|
March 15, 2013
Bond energy decomposition analysis for subsystem density functional theory
S Maya Beyhan, Andreas W Götz, Lucas Visscher
Journal of Chemical Theory and Computation
|
November 26, 2015
Performance of Kinetic Energy Functionals for Interaction Energies in a Subsystem Formulation of Density Functional Theory
Andreas W Götz, S Maya Beyhan, Lucas Visscher
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
March 27, 2003
A quantum chemical study of racemization pathways in substituted chrysene derivatives
Carsten Kind, Andreas W Götz, Bernd A Hess
Journal of Computational Chemistry
|
June 18, 2005
Optimization of auxiliary basis sets for the LEDO expansion and a projection technique for LEDO-DFT
Andreas W Götz, Christian Kollmar, Bernd A Hess
Current Opinion in Structural Biology
|
July 2, 2022
Computer-aided drug design, quantum-mechanical methods for biological problems
Madushanka Manathunga, Andreas W Götz, Kenneth M Merz
Inorganic Chemistry
|
January 9, 2018
A Water Dimer Shift Activates a Proton Pumping Pathway in the P<sub>R</sub> → F Transition of ba<sub>3</sub> Cytochrome c Oxidase
Wen-Ge Han Du, Andreas W Götz, Louis Noodleman
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
February 10, 2022
DFT Calculations for Mössbauer Properties on Dinuclear Center Models of the Resting Oxidized Cytochrome c Oxidase
Wen-Ge Han Du, Andreas W Götz, Louis Noodleman
Page
of 7