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The Journal of Physical Chemistry. A
|
June 2, 2017
Explicitly Correlated Orbital Optimized Contracted Pair Correlation Methods: A Short Overview
Christian Lasar, Thorsten Klüner
The Journal of Physical Chemistry. A
|
November 16, 2007
Bonding of CO and NO to NiO(100): a strategy for obtaining accurate adsorption energies
Imed Mehdaoui, Thorsten Klüner
The Journal of Chemical Physics
|
April 3, 2012
Optimal control of open quantum systems: a combined surrogate hamiltonian optimal control theory approach applied to photochemistry on surfaces
Erik Asplund, Thorsten Klüner
Physical Chemistry Chemical Physics : PCCP
|
January 11, 2022
Theoretical investigation of CH-bond activation by photocatalytic excited SO<sub>2</sub> and the effects of C-, N-, S-, and Se-doped TiO<sub>2</sub>
Luca Gerhards, Thorsten Klüner
Journal of Chemical Theory and Computation
|
December 2, 2015
Role of Electrostatic Interactions on Engineering Reaction Barriers: The Case of CO Dissociation on Supported Cobalt Particles
Wai-Leung Yim, Thorsten Klüner
Journal of Computational Chemistry
|
January 4, 2008
Atoms-in-molecules analysis for planewave DFT calculations--a numerical approach on a successively interpolated charge density grid
Wai-Leung Yim, Thorsten Klüner
Physical Review Letters
|
May 28, 2013
Substrate mediated short- and long-range adsorption patterns of CO on Ag(110)
Wai-Leung Yim, Thorsten Klüner
Dalton Transactions (Cambridge, England : 2003)
|
February 28, 2017
Formation of hybrid ABX<sub>3</sub> perovskite compounds for solar cell application: first-principles calculations of effective ionic radii and determination of tolerance factors
Markus Becker, Thorsten Klüner, Michael Wark
Physical Chemistry Chemical Physics : PCCP
|
October 30, 2009
Orientation of the GM1 ganglioside in Langmuir-Blodgett monolayers: a PM IRRAS and computational study
Melanie Röefzaad, Thorsten Klüner, Izabella Brand
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
November 29, 2014
Oxoanionic noble metal compounds from fuming nitric acid: the palladium examples Pd(NO3)2 and Pd(CH3SO3)2
Jörn Bruns, Thorsten Klüner, Mathias S Wickleder
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of 6
Search research articles
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Showing results (11-20 of 51) with videos related to
Sort By:
Page
of 6
The Journal of Physical Chemistry. A
|
June 2, 2017
Explicitly Correlated Orbital Optimized Contracted Pair Correlation Methods: A Short Overview
Christian Lasar, Thorsten Klüner
The Journal of Physical Chemistry. A
|
November 16, 2007
Bonding of CO and NO to NiO(100): a strategy for obtaining accurate adsorption energies
Imed Mehdaoui, Thorsten Klüner
The Journal of Chemical Physics
|
April 3, 2012
Optimal control of open quantum systems: a combined surrogate hamiltonian optimal control theory approach applied to photochemistry on surfaces
Erik Asplund, Thorsten Klüner
Physical Chemistry Chemical Physics : PCCP
|
January 11, 2022
Theoretical investigation of CH-bond activation by photocatalytic excited SO<sub>2</sub> and the effects of C-, N-, S-, and Se-doped TiO<sub>2</sub>
Luca Gerhards, Thorsten Klüner
Journal of Chemical Theory and Computation
|
December 2, 2015
Role of Electrostatic Interactions on Engineering Reaction Barriers: The Case of CO Dissociation on Supported Cobalt Particles
Wai-Leung Yim, Thorsten Klüner
Journal of Computational Chemistry
|
January 4, 2008
Atoms-in-molecules analysis for planewave DFT calculations--a numerical approach on a successively interpolated charge density grid
Wai-Leung Yim, Thorsten Klüner
Physical Review Letters
|
May 28, 2013
Substrate mediated short- and long-range adsorption patterns of CO on Ag(110)
Wai-Leung Yim, Thorsten Klüner
Dalton Transactions (Cambridge, England : 2003)
|
February 28, 2017
Formation of hybrid ABX<sub>3</sub> perovskite compounds for solar cell application: first-principles calculations of effective ionic radii and determination of tolerance factors
Markus Becker, Thorsten Klüner, Michael Wark
Physical Chemistry Chemical Physics : PCCP
|
October 30, 2009
Orientation of the GM1 ganglioside in Langmuir-Blodgett monolayers: a PM IRRAS and computational study
Melanie Röefzaad, Thorsten Klüner, Izabella Brand
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
November 29, 2014
Oxoanionic noble metal compounds from fuming nitric acid: the palladium examples Pd(NO3)2 and Pd(CH3SO3)2
Jörn Bruns, Thorsten Klüner, Mathias S Wickleder
Page
of 6