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The Journal of Chemical Physics
|
July 21, 2004
Photodissociation of diiodomethane in acetonitrile solution and fragment recombination into iso-diiodomethane studied with ab initio molecular dynamics simulations
Michael Odelius, Malin Kadi, Jan Davidsson, et al.
Structural Dynamics (Melville, N.Y.)
|
January 23, 2016
Solvation structure around ruthenium(II) tris(bipyridine) in lithium halide solutions
Ida Josefsson, Susanna K Eriksson, Håkan Rensmo, et al.
The Journal of Chemical Physics
|
January 22, 2021
Setting the stage for theoretical x-ray spectra of the H<sub>2</sub>S molecule with multi-configurational quantum chemical calculations of the energy landscape
Emelie Ertan, Marcus Lundberg, Lasse Kragh Sørensen, et al.
The Journal of Chemical Physics
|
December 18, 2025
Nonadiabatic dynamics of photoexcited thiopyridone isomers: An interplay between El-Sayed's conditions and energy gap law
Sambit K Das, Douglas Garratt, Kelly Gaffney, et al.
The Journal of Chemical Physics
|
November 20, 2004
X-ray absorption spectra of water within a plane-wave Car-Parrinello molecular dynamics framework
Matteo Cavalleri, Michael Odelius, Anders Nilsson, et al.
The Journal of Chemical Physics
|
January 1, 2018
An ab initio CASSCF study of zero field splitting fluctuations in the octet ground state of aqueous [Gd(iii)(HPDO3A)(H<sub>2</sub>O)]
Shehryar Khan, Rodolphe Pollet, Rodolphe Vuilleumier, et al.
The Journal of Chemical Physics
|
January 24, 2015
Systematic theoretical investigation of the zero-field splitting in Gd(III) complexes: wave function and density functional approaches
Shehryar Khan, Aleksandra Kubica-Misztal, Danuta Kruk, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 19, 2018
Photoelectron shake-ups as a probe of molecular symmetry: 4d XPS analysis of I<sub>3</sub><sup>-</sup> in solution
Jesper Norell, Gilbert Grell, Oliver Kühn, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 18, 2018
Quantum dots as an electron or hole acceptor: on some factors affecting charge transfer in dye-quantum dot composites
Kalpna Jain, Shyam Kishor, Khundrakpam S Singh, et al.
Inorganic Chemistry
|
May 28, 2024
Theoretical Investigation of Transient Species Following Photodissociation of Ironpentacarbonyl in Ethanol Solution
Michael R Coates, Ambar Banerjee, Raphael M Jay, et al.
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Search research articles
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Showing results (11-20 of 96) with videos related to
Sort By:
Page
of 10
The Journal of Chemical Physics
|
July 21, 2004
Photodissociation of diiodomethane in acetonitrile solution and fragment recombination into iso-diiodomethane studied with ab initio molecular dynamics simulations
Michael Odelius, Malin Kadi, Jan Davidsson, et al.
Structural Dynamics (Melville, N.Y.)
|
January 23, 2016
Solvation structure around ruthenium(II) tris(bipyridine) in lithium halide solutions
Ida Josefsson, Susanna K Eriksson, Håkan Rensmo, et al.
The Journal of Chemical Physics
|
January 22, 2021
Setting the stage for theoretical x-ray spectra of the H<sub>2</sub>S molecule with multi-configurational quantum chemical calculations of the energy landscape
Emelie Ertan, Marcus Lundberg, Lasse Kragh Sørensen, et al.
The Journal of Chemical Physics
|
December 18, 2025
Nonadiabatic dynamics of photoexcited thiopyridone isomers: An interplay between El-Sayed's conditions and energy gap law
Sambit K Das, Douglas Garratt, Kelly Gaffney, et al.
The Journal of Chemical Physics
|
November 20, 2004
X-ray absorption spectra of water within a plane-wave Car-Parrinello molecular dynamics framework
Matteo Cavalleri, Michael Odelius, Anders Nilsson, et al.
The Journal of Chemical Physics
|
January 1, 2018
An ab initio CASSCF study of zero field splitting fluctuations in the octet ground state of aqueous [Gd(iii)(HPDO3A)(H<sub>2</sub>O)]
Shehryar Khan, Rodolphe Pollet, Rodolphe Vuilleumier, et al.
The Journal of Chemical Physics
|
January 24, 2015
Systematic theoretical investigation of the zero-field splitting in Gd(III) complexes: wave function and density functional approaches
Shehryar Khan, Aleksandra Kubica-Misztal, Danuta Kruk, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 19, 2018
Photoelectron shake-ups as a probe of molecular symmetry: 4d XPS analysis of I<sub>3</sub><sup>-</sup> in solution
Jesper Norell, Gilbert Grell, Oliver Kühn, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 18, 2018
Quantum dots as an electron or hole acceptor: on some factors affecting charge transfer in dye-quantum dot composites
Kalpna Jain, Shyam Kishor, Khundrakpam S Singh, et al.
Inorganic Chemistry
|
May 28, 2024
Theoretical Investigation of Transient Species Following Photodissociation of Ironpentacarbonyl in Ethanol Solution
Michael R Coates, Ambar Banerjee, Raphael M Jay, et al.
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of 10