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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 29, 2011
Basis-set quality and basis-set bias in molecular property calculations
Dmitrij Rappoport
The Journal of Physical Chemistry. A
|
March 9, 2019
Reaction Networks and the Metric Structure of Chemical Space(s)
Dmitrij Rappoport
The Journal of Chemical Physics
|
October 2, 2021
Property-optimized Gaussian basis sets for lanthanides
Dmitrij Rappoport
The Journal of Physical Chemistry. A
|
June 7, 2023
Statistics and Bias-Free Sampling of Reaction Mechanisms from Reaction Network Models
Dmitrij Rappoport
The Journal of Chemical Physics
|
March 3, 2005
Analytical time-dependent density functional derivative methods within the RI-J approximation, an approach to excited states of large molecules
Dmitrij Rappoport, Filipp Furche
The Journal of Chemical Physics
|
October 15, 2010
Property-optimized gaussian basis sets for molecular response calculations
Dmitrij Rappoport, Filipp Furche
Physical Chemistry Chemical Physics : PCCP
|
October 8, 2009
Structure of endohedral fullerene Eu@C74
Dmitrij Rappoport, Filipp Furche
Journal of the American Chemical Society
|
January 30, 2004
Photoinduced intramolecular charge transfer in 4-(dimethyl)aminobenzonitrile--a theoretical perspective
Dmitrij Rappoport, Filipp Furche
The Journal of Chemical Physics
|
June 8, 2007
Lagrangian approach to molecular vibrational Raman intensities using time-dependent hybrid density functional theory
Dmitrij Rappoport, Filipp Furche
Physical Chemistry Chemical Physics : PCCP
|
November 21, 2014
Development of new auxiliary basis functions of the Karlsruhe segmented contracted basis sets including diffuse basis functions (def2-SVPD, def2-TZVPPD, and def2-QVPPD) for RI-MP2 and RI-CC calculations
Arnim Hellweg, Dmitrij Rappoport
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of 5
Search research articles
Search
Showing results (1-10 of 44) with videos related to
Sort By:
Page
of 5
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 29, 2011
Basis-set quality and basis-set bias in molecular property calculations
Dmitrij Rappoport
The Journal of Physical Chemistry. A
|
March 9, 2019
Reaction Networks and the Metric Structure of Chemical Space(s)
Dmitrij Rappoport
The Journal of Chemical Physics
|
October 2, 2021
Property-optimized Gaussian basis sets for lanthanides
Dmitrij Rappoport
The Journal of Physical Chemistry. A
|
June 7, 2023
Statistics and Bias-Free Sampling of Reaction Mechanisms from Reaction Network Models
Dmitrij Rappoport
The Journal of Chemical Physics
|
March 3, 2005
Analytical time-dependent density functional derivative methods within the RI-J approximation, an approach to excited states of large molecules
Dmitrij Rappoport, Filipp Furche
The Journal of Chemical Physics
|
October 15, 2010
Property-optimized gaussian basis sets for molecular response calculations
Dmitrij Rappoport, Filipp Furche
Physical Chemistry Chemical Physics : PCCP
|
October 8, 2009
Structure of endohedral fullerene Eu@C74
Dmitrij Rappoport, Filipp Furche
Journal of the American Chemical Society
|
January 30, 2004
Photoinduced intramolecular charge transfer in 4-(dimethyl)aminobenzonitrile--a theoretical perspective
Dmitrij Rappoport, Filipp Furche
The Journal of Chemical Physics
|
June 8, 2007
Lagrangian approach to molecular vibrational Raman intensities using time-dependent hybrid density functional theory
Dmitrij Rappoport, Filipp Furche
Physical Chemistry Chemical Physics : PCCP
|
November 21, 2014
Development of new auxiliary basis functions of the Karlsruhe segmented contracted basis sets including diffuse basis functions (def2-SVPD, def2-TZVPPD, and def2-QVPPD) for RI-MP2 and RI-CC calculations
Arnim Hellweg, Dmitrij Rappoport
Page
of 5