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Physical Chemistry Chemical Physics : PCCP
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November 15, 2011
4-Component relativistic magnetically induced current density using London atomic orbitals
David Sulzer, Małgorzata Olejniczak, Radovan Bast, et al.
The Journal of Physical Chemistry. A
|
November 21, 2014
Four-component relativistic calculations in solution with the polarizable continuum model of solvation: theory, implementation, and application to the group 16 dihydrides H2X (X = O, S, Se, Te, Po)
Roberto Di Remigio, Radovan Bast, Luca Frediani, et al.
The Journal of Chemical Physics
|
March 3, 2007
Methodological aspects in the calculation of parity-violating effects in nuclear magnetic resonance parameters
Ville Weijo, Radovan Bast, Pekka Manninen, et al.
The Journal of Chemical Physics
|
October 10, 2014
Analytic calculations of hyper-Raman spectra from density functional theory hyperpolarizability gradients
Magnus Ringholm, Radovan Bast, Luca Oggioni, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
January 29, 2008
Static and frequency-dependent dipole-dipole polarizabilities of all closed-shell atoms up to radium: a four-component relativistic DFT study
Radovan Bast, Andreas Hesselmann, Paweł Sałek, 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. A
|
January 11, 2014
Analytic density functional theory calculations of pure vibrational hyperpolarizabilities: the first dipole hyperpolarizability of retinal and related molecules
Bin Gao, Magnus Ringholm, Radovan Bast, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 25, 2010
The ab initio calculation of molecular electric, magnetic and geometric properties
Radovan Bast, Ulf Ekström, Bin Gao, et al.
The Journal of Physical Chemistry. A
|
February 19, 2021
Spatial Contributions to Nuclear Magnetic Shieldings
Rahul Kumar Jinger, Heike Fliegl, Radovan Bast, et al.
The Journal of Physical Chemistry. A
|
June 25, 2011
The first and second static electronic hyperpolarizabilities of zigzag boron nitride nanotubes. An ab initio approach through the coupled perturbed Kohn-Sham scheme
Roberto Orlando, Radovan Bast, Kenneth Ruud, et al.
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of 4
Search research articles
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Showing results (11-20 of 36) with videos related to
Sort By:
Page
of 4
Physical Chemistry Chemical Physics : PCCP
|
November 15, 2011
4-Component relativistic magnetically induced current density using London atomic orbitals
David Sulzer, Małgorzata Olejniczak, Radovan Bast, et al.
The Journal of Physical Chemistry. A
|
November 21, 2014
Four-component relativistic calculations in solution with the polarizable continuum model of solvation: theory, implementation, and application to the group 16 dihydrides H2X (X = O, S, Se, Te, Po)
Roberto Di Remigio, Radovan Bast, Luca Frediani, et al.
The Journal of Chemical Physics
|
March 3, 2007
Methodological aspects in the calculation of parity-violating effects in nuclear magnetic resonance parameters
Ville Weijo, Radovan Bast, Pekka Manninen, et al.
The Journal of Chemical Physics
|
October 10, 2014
Analytic calculations of hyper-Raman spectra from density functional theory hyperpolarizability gradients
Magnus Ringholm, Radovan Bast, Luca Oggioni, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
January 29, 2008
Static and frequency-dependent dipole-dipole polarizabilities of all closed-shell atoms up to radium: a four-component relativistic DFT study
Radovan Bast, Andreas Hesselmann, Paweł Sałek, 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. A
|
January 11, 2014
Analytic density functional theory calculations of pure vibrational hyperpolarizabilities: the first dipole hyperpolarizability of retinal and related molecules
Bin Gao, Magnus Ringholm, Radovan Bast, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 25, 2010
The ab initio calculation of molecular electric, magnetic and geometric properties
Radovan Bast, Ulf Ekström, Bin Gao, et al.
The Journal of Physical Chemistry. A
|
February 19, 2021
Spatial Contributions to Nuclear Magnetic Shieldings
Rahul Kumar Jinger, Heike Fliegl, Radovan Bast, et al.
The Journal of Physical Chemistry. A
|
June 25, 2011
The first and second static electronic hyperpolarizabilities of zigzag boron nitride nanotubes. An ab initio approach through the coupled perturbed Kohn-Sham scheme
Roberto Orlando, Radovan Bast, Kenneth Ruud, et al.
Page
of 4