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The Journal of Chemical Physics
|
September 17, 2005
Towards accurate all-electron quantum Monte Carlo calculations of transition-metal systems: spectroscopy of the copper atom
Michel Caffarel, Jean-Pierre Daudey, Jean-Louis Heully, et al.
Inorganic Chemistry
|
May 27, 2016
Computational Estimate of the Photophysical Capabilities of Four Series of Organometallic Iron(II) Complexes
Isabelle M Dixon, Gauthier Boissard, Hannah Whyte, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 10, 2017
Theoretical illumination of highly original photoreactive <sup>3</sup>MC states and the mechanism of the photochemistry of Ru(ii) tris(bidentate) complexes
Isabelle M Dixon, Jean-Louis Heully, Fabienne Alary, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
February 17, 2009
Ligand selection in Ru(II) complexes for direct one-electron photooxidation of guanine: a combined computational and experimental study
Martial Boggio-Pasqua, Patricia Vicendo, Mohamed Oubal, et al.
The Journal of Chemical Physics
|
November 6, 2004
An analysis of core effects on shape-consistent pseudopotentials
Emmanuel Fromager, Laurent Maron, Christian Teichteil, et al.
Inorganic Chemistry
|
May 22, 2008
Theoretical characterization of the lowest triplet excited states of the tris-(1,4,5,8-tetraazaphenanthrene) ruthenium dication complex
Fabienne Alary, Martial Boggio-Pasqua, Jean-Louis Heully, et al.
Inorganic Chemistry
|
March 7, 2018
Exploration of Uncharted <sup>3</sup>PES Territory for [Ru(bpy)<sub>3</sub>]<sup>2+</sup>: A New <sup>3</sup>MC Minimum Prone to Ligand Loss Photochemistry
Adrien Soupart, Fabienne Alary, Jean-Louis Heully, et al.
Journal of the American Chemical Society
|
May 25, 2011
Adiabatic versus nonadiabatic photoisomerization in photochromic ruthenium sulfoxide complexes: a mechanistic picture from density functional theory calculations
Adrien J Göttle, Isabelle M Dixon, Fabienne Alary, et al.
Journal of the American Chemical Society
|
September 4, 2003
Using effective group potential methodology for predicting organometallic complex properties
Fabienne Alary, Jean-Louis Heully, Romuald Poteau, et al.
Inorganic Chemistry
|
August 19, 2020
Theoretical Study of the Full Photosolvolysis Mechanism of [Ru(bpy)<sub>3</sub>]<sup>2+</sup>: Providing a General Mechanistic Roadmap for the Photochemistry of [Ru(N^N)<sub>3</sub>]<sup>2+</sup>-Type Complexes toward Both Cis and Trans Photoproducts
Adrien Soupart, Fabienne Alary, Jean-Louis Heully, et al.
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Search research articles
Search
Showing results (11-20 of 32) with videos related to
Sort By:
Page
of 4
The Journal of Chemical Physics
|
September 17, 2005
Towards accurate all-electron quantum Monte Carlo calculations of transition-metal systems: spectroscopy of the copper atom
Michel Caffarel, Jean-Pierre Daudey, Jean-Louis Heully, et al.
Inorganic Chemistry
|
May 27, 2016
Computational Estimate of the Photophysical Capabilities of Four Series of Organometallic Iron(II) Complexes
Isabelle M Dixon, Gauthier Boissard, Hannah Whyte, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 10, 2017
Theoretical illumination of highly original photoreactive <sup>3</sup>MC states and the mechanism of the photochemistry of Ru(ii) tris(bidentate) complexes
Isabelle M Dixon, Jean-Louis Heully, Fabienne Alary, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
February 17, 2009
Ligand selection in Ru(II) complexes for direct one-electron photooxidation of guanine: a combined computational and experimental study
Martial Boggio-Pasqua, Patricia Vicendo, Mohamed Oubal, et al.
The Journal of Chemical Physics
|
November 6, 2004
An analysis of core effects on shape-consistent pseudopotentials
Emmanuel Fromager, Laurent Maron, Christian Teichteil, et al.
Inorganic Chemistry
|
May 22, 2008
Theoretical characterization of the lowest triplet excited states of the tris-(1,4,5,8-tetraazaphenanthrene) ruthenium dication complex
Fabienne Alary, Martial Boggio-Pasqua, Jean-Louis Heully, et al.
Inorganic Chemistry
|
March 7, 2018
Exploration of Uncharted <sup>3</sup>PES Territory for [Ru(bpy)<sub>3</sub>]<sup>2+</sup>: A New <sup>3</sup>MC Minimum Prone to Ligand Loss Photochemistry
Adrien Soupart, Fabienne Alary, Jean-Louis Heully, et al.
Journal of the American Chemical Society
|
May 25, 2011
Adiabatic versus nonadiabatic photoisomerization in photochromic ruthenium sulfoxide complexes: a mechanistic picture from density functional theory calculations
Adrien J Göttle, Isabelle M Dixon, Fabienne Alary, et al.
Journal of the American Chemical Society
|
September 4, 2003
Using effective group potential methodology for predicting organometallic complex properties
Fabienne Alary, Jean-Louis Heully, Romuald Poteau, et al.
Inorganic Chemistry
|
August 19, 2020
Theoretical Study of the Full Photosolvolysis Mechanism of [Ru(bpy)<sub>3</sub>]<sup>2+</sup>: Providing a General Mechanistic Roadmap for the Photochemistry of [Ru(N^N)<sub>3</sub>]<sup>2+</sup>-Type Complexes toward Both Cis and Trans Photoproducts
Adrien Soupart, Fabienne Alary, Jean-Louis Heully, et al.
Page
of 4