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Journal of the American Chemical Society
|
May 30, 2013
Uncovering a dynamically formed substrate access tunnel in carbon monoxide dehydrogenase/acetyl-CoA synthase
Po-hung Wang, Maurizio Bruschi, Luca De Gioia, et al.
Angewandte Chemie (International Ed. in English)
|
March 12, 2014
Aerobic damage to [FeFe]-hydrogenases: activation barriers for the chemical attachment of O2
Adam Kubas, David De Sancho, Robert B Best, et al.
The Journal of Physical Chemistry. B
|
June 6, 2014
Photoemission spectra and density functional theory calculations of 3d transition metal-aqua complexes (Ti-Cu) in aqueous solution
Diana Yepes, Robert Seidel, Bernd Winter, et al.
Journal of the American Chemical Society
|
March 25, 2004
Electronic structure and solvation of copper and silver ions: a theoretical picture of a model aqueous redox reaction
Jochen Blumberger, Leonardo Bernasconi, Ivano Tavernelli, et al.
Journal of Chemical Theory and Computation
|
July 6, 2019
Toward First-Principles-Level Polarization Energies in Force Fields: A Gaussian Basis for the Atom-Condensed Kohn-Sham Method
Patrick Gütlein, Lucas Lang, Karsten Reuter, et al.
Journal of the American Chemical Society
|
November 9, 2010
Prediction of reorganization free energies for biological electron transfer: a comparative study of Ru-modified cytochromes and a 4-helix bundle protein
Varomyalin Tipmanee, Harald Oberhofer, Mina Park, et al.
The Journal of Physical Chemistry Letters
|
March 9, 2016
Fast Interconversion of Hydrogen Bonding at the Hematite (001)-Liquid Water Interface
Guido Falk von Rudorff, Rasmus Jakobsen, Kevin M Rosso, et al.
Advanced Materials (Deerfield Beach, Fla.)
|
September 24, 2021
Impact of Nanoscale Morphology on Charge Carrier Delocalization and Mobility in an Organic Semiconductor
Matthew Ellis, Hui Yang, Samuele Giannini, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
July 29, 2016
Hematite(001)-liquid water interface from hybrid density functional-based molecular dynamics
Guido Falk von Rudorff, Rasmus Jakobsen, Kevin M Rosso, et al.
Journal of Chemical Theory and Computation
|
March 29, 2017
Improving the Performance of Hybrid Functional-Based Molecular Dynamics Simulation through Screening of Hartree-Fock Exchange Forces
Guido Falk von Rudorff, Rasmus Jakobsen, Kevin M Rosso, et al.
Page
of 12
Search research articles
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Showing results (61-70 of 111) with videos related to
Sort By:
Page
of 12
Journal of the American Chemical Society
|
May 30, 2013
Uncovering a dynamically formed substrate access tunnel in carbon monoxide dehydrogenase/acetyl-CoA synthase
Po-hung Wang, Maurizio Bruschi, Luca De Gioia, et al.
Angewandte Chemie (International Ed. in English)
|
March 12, 2014
Aerobic damage to [FeFe]-hydrogenases: activation barriers for the chemical attachment of O2
Adam Kubas, David De Sancho, Robert B Best, et al.
The Journal of Physical Chemistry. B
|
June 6, 2014
Photoemission spectra and density functional theory calculations of 3d transition metal-aqua complexes (Ti-Cu) in aqueous solution
Diana Yepes, Robert Seidel, Bernd Winter, et al.
Journal of the American Chemical Society
|
March 25, 2004
Electronic structure and solvation of copper and silver ions: a theoretical picture of a model aqueous redox reaction
Jochen Blumberger, Leonardo Bernasconi, Ivano Tavernelli, et al.
Journal of Chemical Theory and Computation
|
July 6, 2019
Toward First-Principles-Level Polarization Energies in Force Fields: A Gaussian Basis for the Atom-Condensed Kohn-Sham Method
Patrick Gütlein, Lucas Lang, Karsten Reuter, et al.
Journal of the American Chemical Society
|
November 9, 2010
Prediction of reorganization free energies for biological electron transfer: a comparative study of Ru-modified cytochromes and a 4-helix bundle protein
Varomyalin Tipmanee, Harald Oberhofer, Mina Park, et al.
The Journal of Physical Chemistry Letters
|
March 9, 2016
Fast Interconversion of Hydrogen Bonding at the Hematite (001)-Liquid Water Interface
Guido Falk von Rudorff, Rasmus Jakobsen, Kevin M Rosso, et al.
Advanced Materials (Deerfield Beach, Fla.)
|
September 24, 2021
Impact of Nanoscale Morphology on Charge Carrier Delocalization and Mobility in an Organic Semiconductor
Matthew Ellis, Hui Yang, Samuele Giannini, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
July 29, 2016
Hematite(001)-liquid water interface from hybrid density functional-based molecular dynamics
Guido Falk von Rudorff, Rasmus Jakobsen, Kevin M Rosso, et al.
Journal of Chemical Theory and Computation
|
March 29, 2017
Improving the Performance of Hybrid Functional-Based Molecular Dynamics Simulation through Screening of Hartree-Fock Exchange Forces
Guido Falk von Rudorff, Rasmus Jakobsen, Kevin M Rosso, et al.
Page
of 12