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The Journal of Chemical Physics
|
December 1, 2023
Special Topic on High Performance Computing in Chemical Physics
Tjerk P Straatsma, Theresa L Windus, Takahito Nakajima
The Journal of Physical Chemistry. A
|
October 21, 2015
Molecular and Dissociative Adsorption of Water on (TiO2)n Clusters, n = 1-4
Mingyang Chen, Tjerk P Straatsma, David A Dixon
Molecular Immunology
|
July 22, 2008
Differential tapasin dependence of MHC class I molecules correlates with conformational changes upon peptide dissociation: a molecular dynamics simulation study
Florian Sieker, Tjerk P Straatsma, Sebastian Springer, et al.
Angewandte Chemie (International Ed. in English)
|
March 17, 2007
Dynamic protonation equilibrium of solvated acetic acid
Wei Gu, Tomaso Frigato, Tjerk P Straatsma, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
October 9, 2023
Non-orthogonal Configuration Interaction Study on the Effect of Thermal Distortions on the Singlet Fission Process in Photoexcited Pure and B,N-Doped Pentacene Crystals
Xavier López, Tjerk P Straatsma, Aitor Sánchez-Mansilla, et al.
The Journal of Physical Chemistry. A
|
September 13, 2019
Multilayer Divide-Expand-Consolidate Coupled-Cluster Method: Demonstrative Calculations of the Adsorption Energy of Carbon Dioxide in the Mg-MOF-74 Metal-Organic Framework
Ashleigh L Barnes, Dmytro Bykov, Dmitry I Lyakh, et al.
The Journal of Physical Chemistry. A
|
December 12, 2023
Comparison of Computational Strategies for the Calculation of the Electronic Coupling in Intermolecular Energy and Electron Transport Processes
Xavier López, Aitor Sánchez-Mansilla, Carmen Sousa, et al.
Environmental Science & Technology
|
June 13, 2008
In vitro evolution of a peptide with a hematite binding motif that may constitute a natural metal-oxide binding archetype
Brian H Lower, Roberto D Lins, Zachery Oestreicher, et al.
Protein Engineering, Design & Selection : PEDS
|
March 27, 2009
Engineering an ultra-stable affinity reagent based on Top7
Curt B Boschek, David O Apiyo, Thereza A Soares, et al.
Journal of Chemical Theory and Computation
|
May 22, 2023
The OpenMolcas <i>Web</i>: A Community-Driven Approach to Advancing Computational Chemistry
Giovanni Li Manni, Ignacio Fdez Galván, Ali Alavi, et al.
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of 1
Search research articles
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Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
December 1, 2023
Special Topic on High Performance Computing in Chemical Physics
Tjerk P Straatsma, Theresa L Windus, Takahito Nakajima
The Journal of Physical Chemistry. A
|
October 21, 2015
Molecular and Dissociative Adsorption of Water on (TiO2)n Clusters, n = 1-4
Mingyang Chen, Tjerk P Straatsma, David A Dixon
Molecular Immunology
|
July 22, 2008
Differential tapasin dependence of MHC class I molecules correlates with conformational changes upon peptide dissociation: a molecular dynamics simulation study
Florian Sieker, Tjerk P Straatsma, Sebastian Springer, et al.
Angewandte Chemie (International Ed. in English)
|
March 17, 2007
Dynamic protonation equilibrium of solvated acetic acid
Wei Gu, Tomaso Frigato, Tjerk P Straatsma, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
October 9, 2023
Non-orthogonal Configuration Interaction Study on the Effect of Thermal Distortions on the Singlet Fission Process in Photoexcited Pure and B,N-Doped Pentacene Crystals
Xavier López, Tjerk P Straatsma, Aitor Sánchez-Mansilla, et al.
The Journal of Physical Chemistry. A
|
September 13, 2019
Multilayer Divide-Expand-Consolidate Coupled-Cluster Method: Demonstrative Calculations of the Adsorption Energy of Carbon Dioxide in the Mg-MOF-74 Metal-Organic Framework
Ashleigh L Barnes, Dmytro Bykov, Dmitry I Lyakh, et al.
The Journal of Physical Chemistry. A
|
December 12, 2023
Comparison of Computational Strategies for the Calculation of the Electronic Coupling in Intermolecular Energy and Electron Transport Processes
Xavier López, Aitor Sánchez-Mansilla, Carmen Sousa, et al.
Environmental Science & Technology
|
June 13, 2008
In vitro evolution of a peptide with a hematite binding motif that may constitute a natural metal-oxide binding archetype
Brian H Lower, Roberto D Lins, Zachery Oestreicher, et al.
Protein Engineering, Design & Selection : PEDS
|
March 27, 2009
Engineering an ultra-stable affinity reagent based on Top7
Curt B Boschek, David O Apiyo, Thereza A Soares, et al.
Journal of Chemical Theory and Computation
|
May 22, 2023
The OpenMolcas <i>Web</i>: A Community-Driven Approach to Advancing Computational Chemistry
Giovanni Li Manni, Ignacio Fdez Galván, Ali Alavi, et al.
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