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Journal of Chemical Theory and Computation
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April 6, 2016
Exploring the Mechanism of Ultrafast Intersystem Crossing in Rhenium(I) Carbonyl Bipyridine Halide Complexes: Key Vibrational Modes and Spin-Vibronic Quantum Dynamics
Yu Harabuchi, Julien Eng, Etienne Gindensperger, et al.
Journal of Chemical Theory and Computation
|
July 25, 2019
Strong Influence of Decoherence Corrections and Momentum Rescaling in Surface Hopping Dynamics of Transition Metal Complexes
Felix Plasser, Sebastian Mai, Maria Fumanal, et al.
The Journal of Chemical Physics
|
March 3, 2005
Quantum chemical study of the electronic structure of NiCH2 + in its ground state and low-lying electronic excited states
Sébastien Villaume, Chantal Daniel, Alain Strich, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 3, 2008
A coupled cluster study of the electronic spectroscopy and photochemistry of Cr(CO)6
Sébastien Villaume, Alain Strich, Chantal Daniel, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
August 23, 2014
Photophysical properties of ruthenium(II) polypyridyl DNA intercalators: effects of the molecular surroundings investigated by theory
Thibaut Véry, David Ambrosek, Miho Otsuka, et al.
The Journal of Chemical Physics
|
August 22, 2023
Theoretical spectroscopy for unraveling the intensity mechanism of the optical and photoluminescent spectra of chiral Re(I) transition metal complexes
Rami Shafei, Ai Hamano, Christophe Gourlaouen, et al.
The Journal of Physical Chemistry. A
|
July 24, 2012
Spin-orbit treatment of UV-vis absorption spectra and photophysics of rhenium(I) carbonyl-bipyridine complexes: MS-CASPT2 and TD-DFT analysis
Radka Heydová, Etienne Gindensperger, Roberta Romano, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 7, 2017
Excited-states of a rhenium carbonyl diimine complex: solvation models, spin-orbit coupling, and vibrational sampling effects
Sebastian Mai, Hugo Gattuso, Maria Fumanal, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 26, 2015
A computational mechanistic investigation of hydrogen production in water using the [Rh(III)(dmbpy)2Cl2](+)/[Ru(II)(bpy)3](2+)/ascorbic acid photocatalytic system
Megumi Kayanuma, Thibaut Stoll, Chantal Daniel, et al.
The Journal of Chemical Physics
|
April 28, 2007
Theoretical study of the electronic structure of MCH(2)(+)(M=Fe,Co,Ni)
Sébastien Villaume, Alain Strich, Chérif A Ndoye, et al.
Page
of 7
Search research articles
Search
Showing results (41-50 of 65) with videos related to
Sort By:
Page
of 7
Journal of Chemical Theory and Computation
|
April 6, 2016
Exploring the Mechanism of Ultrafast Intersystem Crossing in Rhenium(I) Carbonyl Bipyridine Halide Complexes: Key Vibrational Modes and Spin-Vibronic Quantum Dynamics
Yu Harabuchi, Julien Eng, Etienne Gindensperger, et al.
Journal of Chemical Theory and Computation
|
July 25, 2019
Strong Influence of Decoherence Corrections and Momentum Rescaling in Surface Hopping Dynamics of Transition Metal Complexes
Felix Plasser, Sebastian Mai, Maria Fumanal, et al.
The Journal of Chemical Physics
|
March 3, 2005
Quantum chemical study of the electronic structure of NiCH2 + in its ground state and low-lying electronic excited states
Sébastien Villaume, Chantal Daniel, Alain Strich, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 3, 2008
A coupled cluster study of the electronic spectroscopy and photochemistry of Cr(CO)6
Sébastien Villaume, Alain Strich, Chantal Daniel, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
August 23, 2014
Photophysical properties of ruthenium(II) polypyridyl DNA intercalators: effects of the molecular surroundings investigated by theory
Thibaut Véry, David Ambrosek, Miho Otsuka, et al.
The Journal of Chemical Physics
|
August 22, 2023
Theoretical spectroscopy for unraveling the intensity mechanism of the optical and photoluminescent spectra of chiral Re(I) transition metal complexes
Rami Shafei, Ai Hamano, Christophe Gourlaouen, et al.
The Journal of Physical Chemistry. A
|
July 24, 2012
Spin-orbit treatment of UV-vis absorption spectra and photophysics of rhenium(I) carbonyl-bipyridine complexes: MS-CASPT2 and TD-DFT analysis
Radka Heydová, Etienne Gindensperger, Roberta Romano, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 7, 2017
Excited-states of a rhenium carbonyl diimine complex: solvation models, spin-orbit coupling, and vibrational sampling effects
Sebastian Mai, Hugo Gattuso, Maria Fumanal, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 26, 2015
A computational mechanistic investigation of hydrogen production in water using the [Rh(III)(dmbpy)2Cl2](+)/[Ru(II)(bpy)3](2+)/ascorbic acid photocatalytic system
Megumi Kayanuma, Thibaut Stoll, Chantal Daniel, et al.
The Journal of Chemical Physics
|
April 28, 2007
Theoretical study of the electronic structure of MCH(2)(+)(M=Fe,Co,Ni)
Sébastien Villaume, Alain Strich, Chérif A Ndoye, et al.
Page
of 7