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The Journal of Chemical Physics
|
March 18, 2006
The generalized active space concept for the relativistic treatment of electron correlation. III. Large-scale configuration interaction and multiconfiguration self-consistent-field four-component methods with application to UO2
Timo Fleig, Hans Jørgen Aa Jensen, Jeppe Olsen, et al.
The Journal of Physical Chemistry. A
|
November 6, 2009
Four-component relativistic coupled cluster and configuration interaction calculations on the ground and excited states of the RbYb molecule
Lasse Kragh Sørensen, Stefan Knecht, Timo Fleig, et al.
The Journal of Chemical Physics
|
June 11, 2005
Calculation of electric-field gradients based on higher-order generalized Douglas-Kroll transformations
Frank Neese, Alexander Wolf, Timo Fleig, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
July 12, 2008
Electronic and vibrational spectroscopy of 1-methylthymine and its water clusters: the dark state survives hydration
Matthias Busker, Michael Nispel, Thomas Häber, et al.
The Journal of Chemical Physics
|
August 17, 2010
The electronic structure of the triiodide ion from relativistic correlated calculations: a comparison of different methodologies
André Severo Pereira Gomes, Lucas Visscher, Hélène Bolvin, et al.
The Journal of Chemical Physics
|
June 4, 2020
The DIRAC code for relativistic molecular calculations
Trond Saue, Radovan Bast, André Severo Pereira Gomes, et al.
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of 2
Search research articles
Search
Showing results (11-20 of 16) with videos related to
Sort By:
Page
of 2
You have reached the last page of results.
This site can display upto 16 results.
The Journal of Chemical Physics
|
March 18, 2006
The generalized active space concept for the relativistic treatment of electron correlation. III. Large-scale configuration interaction and multiconfiguration self-consistent-field four-component methods with application to UO2
Timo Fleig, Hans Jørgen Aa Jensen, Jeppe Olsen, et al.
The Journal of Physical Chemistry. A
|
November 6, 2009
Four-component relativistic coupled cluster and configuration interaction calculations on the ground and excited states of the RbYb molecule
Lasse Kragh Sørensen, Stefan Knecht, Timo Fleig, et al.
The Journal of Chemical Physics
|
June 11, 2005
Calculation of electric-field gradients based on higher-order generalized Douglas-Kroll transformations
Frank Neese, Alexander Wolf, Timo Fleig, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
July 12, 2008
Electronic and vibrational spectroscopy of 1-methylthymine and its water clusters: the dark state survives hydration
Matthias Busker, Michael Nispel, Thomas Häber, et al.
The Journal of Chemical Physics
|
August 17, 2010
The electronic structure of the triiodide ion from relativistic correlated calculations: a comparison of different methodologies
André Severo Pereira Gomes, Lucas Visscher, Hélène Bolvin, et al.
The Journal of Chemical Physics
|
June 4, 2020
The DIRAC code for relativistic molecular calculations
Trond Saue, Radovan Bast, André Severo Pereira Gomes, et al.
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of 2