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Journal of the American Chemical Society
|
August 15, 2015
The Molecular Mechanism of the Catalase-like Activity in Horseradish Peroxidase
Pablo Campomanes, Ursula Rothlisberger, Mercedes Alfonso-Prieto, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
May 1, 2010
Electron localization dynamics in the triplet excited state of [Ru(bpy)3]2+ in aqueous solution
Marc-Etienne Moret, Ivano Tavernelli, Majed Chergui, et al.
The Journal of Physical Chemistry. B
|
March 12, 2014
Study of the redox properties of singlet and triplet Tris(2,2'-bipyridine)ruthenium(II) ([Ru(bpy)3]2+) in aqueous solution by full quantum and mixed quantum/classical molecular dynamics simulations
Polydefkis Diamantis, Jérôme Florian Gonthier, Ivano Tavernelli, et al.
Journal of Computational Chemistry
|
February 16, 2006
A comparative theoretical study of dipeptide solvation in water
Håkan W Hugosson, Alessandro Laio, Patrick Maurer, et al.
European Journal of Medicinal Chemistry
|
September 22, 2014
Computational insights into function and inhibition of fatty acid amide hydrolase
Giulia Palermo, Ursula Rothlisberger, Andrea Cavalli, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
Dispersion Corrected Atom-Centered Potentials for Phosphorus
Michele Cascella, I-Chun Lin, Ivano Tavernelli, et al.
The Journal of Physical Chemistry Letters
|
February 24, 2017
Stabilization of the Perovskite Phase of Formamidinium Lead Triiodide by Methylammonium, Cs, and/or Rb Doping
Olga A Syzgantseva, Michael Saliba, Michael Grätzel, et al.
The Journal of Chemical Physics
|
November 25, 2010
Nonadiabatic coupling vectors for excited states within time-dependent density functional theory in the Tamm-Dancoff approximation and beyond
Ivano Tavernelli, Basile F E Curchod, Andrey Laktionov, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Generalized QM/MM Force Matching Approach Applied to the 11-cis Protonated Schiff Base Chromophore of Rhodopsin
Manuel Doemer, Patrick Maurer, Pablo Campomanes, et al.
Journal of the American Chemical Society
|
February 21, 2008
Computational study of thymine dimer radical anion splitting in the self-repair process of duplex DNA
Fanny Masson, Teodoro Laino, Ivano Tavernelli, et al.
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of 21
Search research articles
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Showing results (71-80 of 204) with videos related to
Sort By:
Page
of 21
Journal of the American Chemical Society
|
August 15, 2015
The Molecular Mechanism of the Catalase-like Activity in Horseradish Peroxidase
Pablo Campomanes, Ursula Rothlisberger, Mercedes Alfonso-Prieto, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
May 1, 2010
Electron localization dynamics in the triplet excited state of [Ru(bpy)3]2+ in aqueous solution
Marc-Etienne Moret, Ivano Tavernelli, Majed Chergui, et al.
The Journal of Physical Chemistry. B
|
March 12, 2014
Study of the redox properties of singlet and triplet Tris(2,2'-bipyridine)ruthenium(II) ([Ru(bpy)3]2+) in aqueous solution by full quantum and mixed quantum/classical molecular dynamics simulations
Polydefkis Diamantis, Jérôme Florian Gonthier, Ivano Tavernelli, et al.
Journal of Computational Chemistry
|
February 16, 2006
A comparative theoretical study of dipeptide solvation in water
Håkan W Hugosson, Alessandro Laio, Patrick Maurer, et al.
European Journal of Medicinal Chemistry
|
September 22, 2014
Computational insights into function and inhibition of fatty acid amide hydrolase
Giulia Palermo, Ursula Rothlisberger, Andrea Cavalli, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
Dispersion Corrected Atom-Centered Potentials for Phosphorus
Michele Cascella, I-Chun Lin, Ivano Tavernelli, et al.
The Journal of Physical Chemistry Letters
|
February 24, 2017
Stabilization of the Perovskite Phase of Formamidinium Lead Triiodide by Methylammonium, Cs, and/or Rb Doping
Olga A Syzgantseva, Michael Saliba, Michael Grätzel, et al.
The Journal of Chemical Physics
|
November 25, 2010
Nonadiabatic coupling vectors for excited states within time-dependent density functional theory in the Tamm-Dancoff approximation and beyond
Ivano Tavernelli, Basile F E Curchod, Andrey Laktionov, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Generalized QM/MM Force Matching Approach Applied to the 11-cis Protonated Schiff Base Chromophore of Rhodopsin
Manuel Doemer, Patrick Maurer, Pablo Campomanes, et al.
Journal of the American Chemical Society
|
February 21, 2008
Computational study of thymine dimer radical anion splitting in the self-repair process of duplex DNA
Fanny Masson, Teodoro Laino, Ivano Tavernelli, et al.
Page
of 21