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The Journal of Physical Chemistry Letters
|
August 21, 2015
On the Inapplicability of Electron-Hopping Models for the Organic Semiconductor Phenyl-C61-butyric Acid Methyl Ester (PCBM)
Fruzsina Gajdos, Harald Oberhofer, Michel Dupuis, et al.
The Journal of Chemical Physics
|
July 13, 2005
Density-functional molecular-dynamics study of the redox reactions of two anionic, aqueous transition-metal complexes
Yoshitaka Tateyama, Jochen Blumberger, Michiel Sprik, et al.
Biophysical Journal
|
July 15, 2021
Methemoglobin formation in mutant hemoglobin α chains: electron transfer parameters and rates
Vaibhav A Dixit, Jochen Blumberger, Shivam Kumar Vyas
Journal of the American Chemical Society
|
March 3, 2022
Electron and Hole Mobilities in Bulk Hematite from Spin-Constrained Density Functional Theory
Christian S Ahart, Kevin M Rosso, Jochen Blumberger
Faraday Discussions
|
September 21, 2019
Nonadiabatic dynamics with quantum nuclei: simulating charge transfer with ring polymer surface hopping
Soumya Ghosh, Samuele Giannini, Kevin Lively, et al.
The Journal of Chemical Physics
|
June 8, 2007
Free energy calculation of water addition coupled to reduction of aqueous RuO4-
Yoshitaka Tateyama, Jochen Blumberger, Takahisa Ohno, et al.
Journal of Chemical Theory and Computation
|
June 14, 2022
Implementation and Validation of Constrained Density Functional Theory Forces in the CP2K Package
Christian S Ahart, Kevin M Rosso, Jochen Blumberger
Journal of the American Chemical Society
|
February 24, 2011
Multiscale simulation reveals multiple pathways for H2 and O2 transport in a [NiFe]-hydrogenase
Po-hung Wang, Robert B Best, Jochen Blumberger
Faraday Discussions
|
October 7, 2016
Confronting surface hopping molecular dynamics with Marcus theory for a molecular donor-acceptor system
Jacob Spencer, Laura Scalfi, Antoine Carof, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 17, 2011
A microscopic model for gas diffusion dynamics in a [NiFe]-hydrogenase
Po-hung Wang, Robert B Best, Jochen Blumberger
Page
of 12
Search research articles
Search
Showing results (41-50 of 111) with videos related to
Sort By:
Page
of 12
The Journal of Physical Chemistry Letters
|
August 21, 2015
On the Inapplicability of Electron-Hopping Models for the Organic Semiconductor Phenyl-C61-butyric Acid Methyl Ester (PCBM)
Fruzsina Gajdos, Harald Oberhofer, Michel Dupuis, et al.
The Journal of Chemical Physics
|
July 13, 2005
Density-functional molecular-dynamics study of the redox reactions of two anionic, aqueous transition-metal complexes
Yoshitaka Tateyama, Jochen Blumberger, Michiel Sprik, et al.
Biophysical Journal
|
July 15, 2021
Methemoglobin formation in mutant hemoglobin α chains: electron transfer parameters and rates
Vaibhav A Dixit, Jochen Blumberger, Shivam Kumar Vyas
Journal of the American Chemical Society
|
March 3, 2022
Electron and Hole Mobilities in Bulk Hematite from Spin-Constrained Density Functional Theory
Christian S Ahart, Kevin M Rosso, Jochen Blumberger
Faraday Discussions
|
September 21, 2019
Nonadiabatic dynamics with quantum nuclei: simulating charge transfer with ring polymer surface hopping
Soumya Ghosh, Samuele Giannini, Kevin Lively, et al.
The Journal of Chemical Physics
|
June 8, 2007
Free energy calculation of water addition coupled to reduction of aqueous RuO4-
Yoshitaka Tateyama, Jochen Blumberger, Takahisa Ohno, et al.
Journal of Chemical Theory and Computation
|
June 14, 2022
Implementation and Validation of Constrained Density Functional Theory Forces in the CP2K Package
Christian S Ahart, Kevin M Rosso, Jochen Blumberger
Journal of the American Chemical Society
|
February 24, 2011
Multiscale simulation reveals multiple pathways for H2 and O2 transport in a [NiFe]-hydrogenase
Po-hung Wang, Robert B Best, Jochen Blumberger
Faraday Discussions
|
October 7, 2016
Confronting surface hopping molecular dynamics with Marcus theory for a molecular donor-acceptor system
Jacob Spencer, Laura Scalfi, Antoine Carof, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 17, 2011
A microscopic model for gas diffusion dynamics in a [NiFe]-hydrogenase
Po-hung Wang, Robert B Best, Jochen Blumberger
Page
of 12