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Chemistry (Weinheim an Der Bergstrasse, Germany)
|
January 26, 2005
The "invisible" 13C NMR chemical shift of the central carbon atom in [(Ph3PAu)6C]2+: a theoretical investigation
Boris Le Guennic, Johannes Neugebauer, Markus Reiher, et al.
Inorganic Chemistry
|
December 20, 2018
Magnetic Coupling in the Ce(III) Dimer Ce<sub>2</sub>(COT)<sub>3</sub>
Frédéric Gendron, Jochen Autschbach, Jean-Paul Malrieu, et al.
Inorganic Chemistry
|
November 29, 2025
Atomic Orbital Energy Matching vs Overlap in Actinide-Ligand Dative Bonding
Asmita Sen, Augustine Obeng, Kurtis Stanistreet-Welsh, et al.
Journal of Chemical Theory and Computation
|
July 13, 2017
Assessment of Tuned Range Separated Exchange Functionals for Spectroscopies and Properties of Uranium Complexes
Thomas J Duignan, Jochen Autschbach, Enrique Batista, et al.
Angewandte Chemie (International Ed. in English)
|
December 1, 2010
(29)Si DFT/NMR observation of spin-orbit effect in metallasilatrane sheds some light on the strength of the metal→silicon interaction
Lionel A Truflandier, Erica Brendler, Jörg Wagler, et al.
The Journal of Physical Chemistry. A
|
July 13, 2006
Density functional calculation of the electronic circular dichroism spectra of the transition metal complexes [M(phen)3]2+ (M = Fe, Ru, Os)
Boris Le Guennic, Wolfgang Hieringer, Andreas Görling, et al.
The Journal of Chemical Physics
|
July 13, 2005
Importance of vibronic effects on the circular dichroism spectrum of dimethyloxirane
Johannes Neugebauer, Evert Jan Baerends, Marcel Nooijen, et al.
The Journal of Chemical Physics
|
August 17, 2010
Theoretical studies of surface enhanced hyper-Raman spectroscopy: the chemical enhancement mechanism
Nicholas Valley, Lasse Jensen, Jochen Autschbach, et al.
Chemical Science
|
September 21, 2022
Organic radicals with inversion of SOMO and HOMO energies and potential applications in optoelectronics
Sitthichok Kasemthaveechok, Laura Abella, Jeanne Crassous, et al.
The Journal of Physical Chemistry Letters
|
August 21, 2015
Curvature and Frontier Orbital Energies in Density Functional Theory
Tamar Stein, Jochen Autschbach, Niranjan Govind, et al.
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of 36
Search research articles
Search
Showing results (161-170 of 357) with videos related to
Sort By:
Page
of 36
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
January 26, 2005
The "invisible" 13C NMR chemical shift of the central carbon atom in [(Ph3PAu)6C]2+: a theoretical investigation
Boris Le Guennic, Johannes Neugebauer, Markus Reiher, et al.
Inorganic Chemistry
|
December 20, 2018
Magnetic Coupling in the Ce(III) Dimer Ce<sub>2</sub>(COT)<sub>3</sub>
Frédéric Gendron, Jochen Autschbach, Jean-Paul Malrieu, et al.
Inorganic Chemistry
|
November 29, 2025
Atomic Orbital Energy Matching vs Overlap in Actinide-Ligand Dative Bonding
Asmita Sen, Augustine Obeng, Kurtis Stanistreet-Welsh, et al.
Journal of Chemical Theory and Computation
|
July 13, 2017
Assessment of Tuned Range Separated Exchange Functionals for Spectroscopies and Properties of Uranium Complexes
Thomas J Duignan, Jochen Autschbach, Enrique Batista, et al.
Angewandte Chemie (International Ed. in English)
|
December 1, 2010
(29)Si DFT/NMR observation of spin-orbit effect in metallasilatrane sheds some light on the strength of the metal→silicon interaction
Lionel A Truflandier, Erica Brendler, Jörg Wagler, et al.
The Journal of Physical Chemistry. A
|
July 13, 2006
Density functional calculation of the electronic circular dichroism spectra of the transition metal complexes [M(phen)3]2+ (M = Fe, Ru, Os)
Boris Le Guennic, Wolfgang Hieringer, Andreas Görling, et al.
The Journal of Chemical Physics
|
July 13, 2005
Importance of vibronic effects on the circular dichroism spectrum of dimethyloxirane
Johannes Neugebauer, Evert Jan Baerends, Marcel Nooijen, et al.
The Journal of Chemical Physics
|
August 17, 2010
Theoretical studies of surface enhanced hyper-Raman spectroscopy: the chemical enhancement mechanism
Nicholas Valley, Lasse Jensen, Jochen Autschbach, et al.
Chemical Science
|
September 21, 2022
Organic radicals with inversion of SOMO and HOMO energies and potential applications in optoelectronics
Sitthichok Kasemthaveechok, Laura Abella, Jeanne Crassous, et al.
The Journal of Physical Chemistry Letters
|
August 21, 2015
Curvature and Frontier Orbital Energies in Density Functional Theory
Tamar Stein, Jochen Autschbach, Niranjan Govind, et al.
Page
of 36