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Kenneth Ruud

Showing results (71-80 of 161) with videos related to

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Inorganic Chemistry|December 27, 2021
Accurate X-ray Absorption Spectra near L- and M-Edges from Relativistic Four-Component Damped Response Time-Dependent Density Functional TheoryLukas Konecny, Jan Vicha, Stanislav Komorovsky, et al.
The Journal of Physical Chemistry. A|June 24, 2015
Correction to "Polarizable Density Embedding: A New QM/QM/MM-based Computational Strategy"Jógvan Magnus Haugaard Olsen, Casper Steinmann, Kenneth Ruud, et al.
Journal of Chemical Theory and Computation|November 21, 2015
First Principles Studies of the Vibrationally Resolved Magnetic Circular Dichroism Spectra of BiphenyleneNa Lin, Harald Solheim, Xian Zhao, et al.
The Journal of Chemical Physics|January 29, 2009
On the importance of vibrational contributions to small-angle optical rotation: Fluoro-oxirane in gas phase and solutionThomas Bondo Pedersen, Jacob Kongsted, T Daniel Crawford, et al.
Physical Chemistry Chemical Physics : PCCP|January 25, 2024
Accidental triplet harvesting in donor-acceptor dyads with low spin-orbit couplingPijush Karak, Torsha Moitra, Ambar Banerjee, et al.
The Journal of Chemical Physics|December 28, 2006
Combined density functional/polarizable continuum model study of magnetochiral birefringence: can theory and experiment be brought to agreement?Branislav Jansík, Antonio Rizzo, Luca Frediani, et al.
The Journal of Physical Chemistry Letters|July 17, 2018
Unraveling the Microscopic Origin of Triplet Lasing from Organic SolidsLopa Paul, Ambar Banerjee, Ankan Paul, et al.
The Journal of Chemical Physics|October 10, 2014
Analytic calculations of hyper-Raman spectra from density functional theory hyperpolarizability gradientsMagnus Ringholm, Radovan Bast, Luca Oggioni, et al.
The Journal of Physical Chemistry. A|February 1, 2023
Exact Two-Component TDDFT with Simple Two-Electron Picture-Change Corrections: X-ray Absorption Spectra Near L- and M-Edges of Four-Component Quality at Two-Component CostLukas Konecny, Stanislav Komorovsky, Jan Vicha, et al.
The Journal of Chemical Physics|December 4, 2018
Resolution-of-identity accelerated relativistic two- and four-component electron dynamics approach to chiroptical spectroscopiesLukas Konecny, Marius Kadek, Stanislav Komorovsky, et al.
Pageof 17

Showing results (71-80 of 161) with videos related to

Sort By:
Pageof 17
Inorganic Chemistry|December 27, 2021
Accurate X-ray Absorption Spectra near L- and M-Edges from Relativistic Four-Component Damped Response Time-Dependent Density Functional TheoryLukas Konecny, Jan Vicha, Stanislav Komorovsky, et al.
The Journal of Physical Chemistry. A|June 24, 2015
Correction to "Polarizable Density Embedding: A New QM/QM/MM-based Computational Strategy"Jógvan Magnus Haugaard Olsen, Casper Steinmann, Kenneth Ruud, et al.
Journal of Chemical Theory and Computation|November 21, 2015
First Principles Studies of the Vibrationally Resolved Magnetic Circular Dichroism Spectra of BiphenyleneNa Lin, Harald Solheim, Xian Zhao, et al.
The Journal of Chemical Physics|January 29, 2009
On the importance of vibrational contributions to small-angle optical rotation: Fluoro-oxirane in gas phase and solutionThomas Bondo Pedersen, Jacob Kongsted, T Daniel Crawford, et al.
Physical Chemistry Chemical Physics : PCCP|January 25, 2024
Accidental triplet harvesting in donor-acceptor dyads with low spin-orbit couplingPijush Karak, Torsha Moitra, Ambar Banerjee, et al.
The Journal of Chemical Physics|December 28, 2006
Combined density functional/polarizable continuum model study of magnetochiral birefringence: can theory and experiment be brought to agreement?Branislav Jansík, Antonio Rizzo, Luca Frediani, et al.
The Journal of Physical Chemistry Letters|July 17, 2018
Unraveling the Microscopic Origin of Triplet Lasing from Organic SolidsLopa Paul, Ambar Banerjee, Ankan Paul, et al.
The Journal of Chemical Physics|October 10, 2014
Analytic calculations of hyper-Raman spectra from density functional theory hyperpolarizability gradientsMagnus Ringholm, Radovan Bast, Luca Oggioni, et al.
The Journal of Physical Chemistry. A|February 1, 2023
Exact Two-Component TDDFT with Simple Two-Electron Picture-Change Corrections: X-ray Absorption Spectra Near L- and M-Edges of Four-Component Quality at Two-Component CostLukas Konecny, Stanislav Komorovsky, Jan Vicha, et al.
The Journal of Chemical Physics|December 4, 2018
Resolution-of-identity accelerated relativistic two- and four-component electron dynamics approach to chiroptical spectroscopiesLukas Konecny, Marius Kadek, Stanislav Komorovsky, et al.
Pageof 17