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The Journal of Physical Chemistry. A
|
February 24, 2006
Solvent effects on Raman optical activity spectra calculated using the polarizable continuum model
Magdalena Pecul, Ewa Lamparska, Chiara Cappelli, et al.
The Journal of Chemical Physics
|
December 15, 2005
Gauge-origin-independent magnetizabilities of solvated molecules using the polarizable continuum model
Lara Ferrighi, Domenico Marchesan, Kenneth Ruud, et al.
The Journal of Chemical Physics
|
March 10, 2015
Communication: The absolute shielding scales of oxygen and sulfur revisited
Stanislav Komorovsky, Michal Repisky, Elena Malkin, et al.
The Journal of Physical Chemistry. A
|
August 5, 2022
A Computational Protocol for Vibrational Circular Dichroism Spectra of Cyclic Oligopeptides
Karolina Di Remigio Eikås, Maarten T P Beerepoot, Kenneth Ruud
The Journal of Physical Chemistry Letters
|
July 19, 2024
Reverse Intersystem Crossing Dynamics in Vibronically Modulated Inverted Singlet-Triplet Gap System: A Wigner Phase Space Study
Pijush Karak, Pradipta Manna, Ambar Banerjee, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 11, 2010
Zero-point vibrational corrections to isotropic hyperfine coupling constants in polyatomic molecules
Xing Chen, Zilvinas Rinkevicius, Zexing Cao, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 15, 2020
Behind the scenes of spin-forbidden decay pathways in transition metal complexes
Torsha Moitra, Pijush Karak, Sayantani Chakraborty, et al.
The Journal of Physical Chemistry. A
|
January 17, 2015
Polarizable density embedding: a new QM/QM/MM-based computational strategy
Jógvan Magnus Haugaard Olsen, Casper Steinmann, Kenneth Ruud, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 14, 2015
X-ray absorption resonances near L2,3-edges from real-time propagation of the Dirac-Kohn-Sham density matrix
Marius Kadek, Lukas Konecny, Bin Gao, et al.
Angewandte Chemie (International Ed. in English)
|
August 12, 2016
Mercury Methylation by Cobalt Corrinoids: Relativistic Effects Dictate the Reaction Mechanism
Taye B Demissie, Brady D Garabato, Kenneth Ruud, et al.
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of 17
Search research articles
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Showing results (81-90 of 161) with videos related to
Sort By:
Page
of 17
The Journal of Physical Chemistry. A
|
February 24, 2006
Solvent effects on Raman optical activity spectra calculated using the polarizable continuum model
Magdalena Pecul, Ewa Lamparska, Chiara Cappelli, et al.
The Journal of Chemical Physics
|
December 15, 2005
Gauge-origin-independent magnetizabilities of solvated molecules using the polarizable continuum model
Lara Ferrighi, Domenico Marchesan, Kenneth Ruud, et al.
The Journal of Chemical Physics
|
March 10, 2015
Communication: The absolute shielding scales of oxygen and sulfur revisited
Stanislav Komorovsky, Michal Repisky, Elena Malkin, et al.
The Journal of Physical Chemistry. A
|
August 5, 2022
A Computational Protocol for Vibrational Circular Dichroism Spectra of Cyclic Oligopeptides
Karolina Di Remigio Eikås, Maarten T P Beerepoot, Kenneth Ruud
The Journal of Physical Chemistry Letters
|
July 19, 2024
Reverse Intersystem Crossing Dynamics in Vibronically Modulated Inverted Singlet-Triplet Gap System: A Wigner Phase Space Study
Pijush Karak, Pradipta Manna, Ambar Banerjee, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 11, 2010
Zero-point vibrational corrections to isotropic hyperfine coupling constants in polyatomic molecules
Xing Chen, Zilvinas Rinkevicius, Zexing Cao, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 15, 2020
Behind the scenes of spin-forbidden decay pathways in transition metal complexes
Torsha Moitra, Pijush Karak, Sayantani Chakraborty, et al.
The Journal of Physical Chemistry. A
|
January 17, 2015
Polarizable density embedding: a new QM/QM/MM-based computational strategy
Jógvan Magnus Haugaard Olsen, Casper Steinmann, Kenneth Ruud, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 14, 2015
X-ray absorption resonances near L2,3-edges from real-time propagation of the Dirac-Kohn-Sham density matrix
Marius Kadek, Lukas Konecny, Bin Gao, et al.
Angewandte Chemie (International Ed. in English)
|
August 12, 2016
Mercury Methylation by Cobalt Corrinoids: Relativistic Effects Dictate the Reaction Mechanism
Taye B Demissie, Brady D Garabato, Kenneth Ruud, et al.
Page
of 17