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The Journal of Chemical Physics
|
October 17, 2009
Benchmarking density-functional-theory calculations of rotational g tensors and magnetizabilities using accurate coupled-cluster calculations
Ola B Lutnaes, Andrew M Teale, Trygve Helgaker, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 29, 2009
TDDFT diagnostic testing and functional assessment for triazene chromophores
Michael J G Peach, C Ruth Le Sueur, Kenneth Ruud, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 7, 2016
NMR absolute shielding scale and nuclear magnetic dipole moment of (207)Pb
Bożena Adrjan, Włodzimierz Makulski, Karol Jackowski, et al.
Journal of Chemical Theory and Computation
|
December 2, 2015
Degenerate Perturbation Theory for Electronic g Tensors: Leading-Order Relativistic Effects
Zilvinas Rinkevicius, Katia Julia de Almeida, Cornel I Oprea, et al.
Journal of the American Chemical Society
|
March 14, 2002
Relativistic spin-orbit coupling effects on secondary isotope shifts of (13)C nuclear shielding in CX(2) (X = O, S, Se, Te)
Perttu Lantto, Juha Vaara, Anu M Kantola, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Excitation Energies from Real-Time Propagation of the Four-Component Dirac-Kohn-Sham Equation
Michal Repisky, Lukas Konecny, Marius Kadek, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 9, 2012
Vibrationally resolved circular dichroism spectra of a molecule with isotopically engendered chirality
Na Lin, Harald Solheim, Kenneth Ruud, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
October 30, 2015
Pyrrolo[3,2-b]pyrroles-From Unprecedented Solvatofluorochromism to Two-Photon Absorption
Daniel H Friese, Alexander Mikhaylov, Maciej Krzeszewski, et al.
The Journal of Chemical Physics
|
February 12, 2015
Analytic cubic and quartic force fields using density-functional theory
Magnus Ringholm, Dan Jonsson, Radovan Bast, et al.
The Journal of Physical Chemistry. A
|
February 2, 2011
Electronically excited states of vitamin B12: benchmark calculations including time-dependent density functional theory and correlated ab initio methods
Karina Kornobis, Neeraj Kumar, Bryan M Wong, et al.
Page
of 17
Search research articles
Search
Showing results (131-140 of 161) with videos related to
Sort By:
Page
of 17
The Journal of Chemical Physics
|
October 17, 2009
Benchmarking density-functional-theory calculations of rotational g tensors and magnetizabilities using accurate coupled-cluster calculations
Ola B Lutnaes, Andrew M Teale, Trygve Helgaker, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 29, 2009
TDDFT diagnostic testing and functional assessment for triazene chromophores
Michael J G Peach, C Ruth Le Sueur, Kenneth Ruud, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 7, 2016
NMR absolute shielding scale and nuclear magnetic dipole moment of (207)Pb
Bożena Adrjan, Włodzimierz Makulski, Karol Jackowski, et al.
Journal of Chemical Theory and Computation
|
December 2, 2015
Degenerate Perturbation Theory for Electronic g Tensors: Leading-Order Relativistic Effects
Zilvinas Rinkevicius, Katia Julia de Almeida, Cornel I Oprea, et al.
Journal of the American Chemical Society
|
March 14, 2002
Relativistic spin-orbit coupling effects on secondary isotope shifts of (13)C nuclear shielding in CX(2) (X = O, S, Se, Te)
Perttu Lantto, Juha Vaara, Anu M Kantola, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Excitation Energies from Real-Time Propagation of the Four-Component Dirac-Kohn-Sham Equation
Michal Repisky, Lukas Konecny, Marius Kadek, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 9, 2012
Vibrationally resolved circular dichroism spectra of a molecule with isotopically engendered chirality
Na Lin, Harald Solheim, Kenneth Ruud, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
October 30, 2015
Pyrrolo[3,2-b]pyrroles-From Unprecedented Solvatofluorochromism to Two-Photon Absorption
Daniel H Friese, Alexander Mikhaylov, Maciej Krzeszewski, et al.
The Journal of Chemical Physics
|
February 12, 2015
Analytic cubic and quartic force fields using density-functional theory
Magnus Ringholm, Dan Jonsson, Radovan Bast, et al.
The Journal of Physical Chemistry. A
|
February 2, 2011
Electronically excited states of vitamin B12: benchmark calculations including time-dependent density functional theory and correlated ab initio methods
Karina Kornobis, Neeraj Kumar, Bryan M Wong, et al.
Page
of 17