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Journal of Computational Chemistry
|
December 30, 2003
New developments in the symmetry-adapted algorithm of the Polarizable Continuum Model
Luca Frediani, Roberto Cammi, Christian S Pomelli, et al.
The Journal of Chemical Physics
|
July 23, 2005
Density functional theory study of indirect nuclear spin-spin coupling constants with spin-orbit corrections
Corneliu I Oprea, Zilvinas Rinkevicius, Olav Vahtras, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 18, 2009
Analytic calculations of nonlinear mixed electric and magnetic frequency-dependent molecular properties using London atomic orbitals: Buckingham birefringence
Dmitry Shcherbin, Andreas J Thorvaldsen, Kenneth Ruud, et al.
The Journal of Chemical Physics
|
December 10, 2008
A density matrix-based quasienergy formulation of the Kohn-Sham density functional response theory using perturbation- and time-dependent basis sets
Andreas J Thorvaldsen, Kenneth Ruud, Kasper Kristensen, et al.
Journal of Chemical Theory and Computation
|
March 31, 2015
Open-Ended Recursive Approach for the Calculation of Multiphoton Absorption Matrix Elements
Daniel H Friese, Maarten T P Beerepoot, Magnus Ringholm, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Four-Component Relativistic Density-Functional Theory Calculations of Nuclear Spin-Rotation Constants: Relativistic Effects in p-Block Hydrides
Stanislav Komorovsky, Michal Repisky, Elena Malkin, et al.
The Journal of Physical Chemistry Letters
|
August 19, 2015
The Absolute Shielding Constants of Heavy Nuclei: Resolving the Enigma of the (119)Sn Absolute Shielding
Elena Malkin, Stanislav Komorovsky, Michal Repisky, et al.
Journal of Chemical Theory and Computation
|
December 1, 2015
Arbitrary-Order Density Functional Response Theory from Automatic Differentiation
Ulf Ekström, Lucas Visscher, Radovan Bast, et al.
The Journal of Physical Chemistry. B
|
March 12, 2011
Excitation energies in solution: the fully polarizable QM/MM/PCM method
Arnfinn Hykkerud Steindal, Kenneth Ruud, Luca Frediani, et al.
Journal of Chemical Theory and Computation
|
November 29, 2018
Electron-Spin Structure and Metal-Ligand Bonding in Open-Shell Systems from Relativistic EPR and NMR: A Case Study of Square-Planar Iridium Catalysts
Pankaj L Bora, Jan Novotný, Kenneth Ruud, et al.
Page
of 17
Search research articles
Search
Showing results (91-100 of 161) with videos related to
Sort By:
Page
of 17
Journal of Computational Chemistry
|
December 30, 2003
New developments in the symmetry-adapted algorithm of the Polarizable Continuum Model
Luca Frediani, Roberto Cammi, Christian S Pomelli, et al.
The Journal of Chemical Physics
|
July 23, 2005
Density functional theory study of indirect nuclear spin-spin coupling constants with spin-orbit corrections
Corneliu I Oprea, Zilvinas Rinkevicius, Olav Vahtras, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 18, 2009
Analytic calculations of nonlinear mixed electric and magnetic frequency-dependent molecular properties using London atomic orbitals: Buckingham birefringence
Dmitry Shcherbin, Andreas J Thorvaldsen, Kenneth Ruud, et al.
The Journal of Chemical Physics
|
December 10, 2008
A density matrix-based quasienergy formulation of the Kohn-Sham density functional response theory using perturbation- and time-dependent basis sets
Andreas J Thorvaldsen, Kenneth Ruud, Kasper Kristensen, et al.
Journal of Chemical Theory and Computation
|
March 31, 2015
Open-Ended Recursive Approach for the Calculation of Multiphoton Absorption Matrix Elements
Daniel H Friese, Maarten T P Beerepoot, Magnus Ringholm, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Four-Component Relativistic Density-Functional Theory Calculations of Nuclear Spin-Rotation Constants: Relativistic Effects in p-Block Hydrides
Stanislav Komorovsky, Michal Repisky, Elena Malkin, et al.
The Journal of Physical Chemistry Letters
|
August 19, 2015
The Absolute Shielding Constants of Heavy Nuclei: Resolving the Enigma of the (119)Sn Absolute Shielding
Elena Malkin, Stanislav Komorovsky, Michal Repisky, et al.
Journal of Chemical Theory and Computation
|
December 1, 2015
Arbitrary-Order Density Functional Response Theory from Automatic Differentiation
Ulf Ekström, Lucas Visscher, Radovan Bast, et al.
The Journal of Physical Chemistry. B
|
March 12, 2011
Excitation energies in solution: the fully polarizable QM/MM/PCM method
Arnfinn Hykkerud Steindal, Kenneth Ruud, Luca Frediani, et al.
Journal of Chemical Theory and Computation
|
November 29, 2018
Electron-Spin Structure and Metal-Ligand Bonding in Open-Shell Systems from Relativistic EPR and NMR: A Case Study of Square-Planar Iridium Catalysts
Pankaj L Bora, Jan Novotný, Kenneth Ruud, et al.
Page
of 17