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The Journal of Chemical Physics
|
March 3, 2017
Correcting density-driven errors in projection-based embedding
Robert C R Pennifold, Simon J Bennie, Thomas F Miller, et al.
The Journal of Chemical Physics
|
February 15, 2013
The orbital-specific virtual local triples correction: OSV-L(T)
Martin Schütz, Jun Yang, Garnet Kin-Lic Chan, et al.
The Journal of Chemical Physics
|
April 17, 2012
The orbital-specific-virtual local coupled cluster singles and doubles method
Jun Yang, Garnet Kin-Lic Chan, Frederick R Manby, et al.
Chemical Communications (Cambridge, England)
|
October 13, 2005
Multiple high-level QM/MM reaction paths demonstrate transition-state stabilization in chorismate mutase: correlation of barrier height with transition-state stabilization
Frederik Claeyssens, Kara E Ranaghan, Frederick R Manby, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 7, 2008
Local and density fitting approximations within the short-range/long-range hybrid scheme: application to large non-bonded complexes
Erich Goll, Thierry Leininger, Frederick R Manby, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 9, 2012
Improving density functional theory for crystal polymorph energetics
Christopher R Taylor, Peter J Bygrave, Judy N Hart, et al.
The Journal of Physical Chemistry Letters
|
November 13, 2019
Structure and Efficiency in Bacterial Photosynthetic Light Harvesting
Susannah Bourne Worster, Clement Stross, Felix M W C Vaughan, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
July 28, 2022
Informing geometric deep learning with electronic interactions to accelerate quantum chemistry
Zhuoran Qiao, Anders S Christensen, Matthew Welborn, et al.
The Journal of Chemical Physics
|
April 20, 2005
Quantum control of molecular motion including electronic polarization effects with a two-stage toolkit
Gabriel G Balint-Kurti, Frederick R Manby, Qinghua Ren, et al.
The Journal of Chemical Physics
|
January 18, 2006
Quantum control of molecular vibrational and rotational excitations in a homonuclear diatomic molecule: a full three-dimensional treatment with polarization forces
Qinghua Ren, Gabriel G Balint-Kurti, Frederick R Manby, et al.
Page
of 8
Search research articles
Search
Showing results (51-60 of 76) with videos related to
Sort By:
Page
of 8
The Journal of Chemical Physics
|
March 3, 2017
Correcting density-driven errors in projection-based embedding
Robert C R Pennifold, Simon J Bennie, Thomas F Miller, et al.
The Journal of Chemical Physics
|
February 15, 2013
The orbital-specific virtual local triples correction: OSV-L(T)
Martin Schütz, Jun Yang, Garnet Kin-Lic Chan, et al.
The Journal of Chemical Physics
|
April 17, 2012
The orbital-specific-virtual local coupled cluster singles and doubles method
Jun Yang, Garnet Kin-Lic Chan, Frederick R Manby, et al.
Chemical Communications (Cambridge, England)
|
October 13, 2005
Multiple high-level QM/MM reaction paths demonstrate transition-state stabilization in chorismate mutase: correlation of barrier height with transition-state stabilization
Frederik Claeyssens, Kara E Ranaghan, Frederick R Manby, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 7, 2008
Local and density fitting approximations within the short-range/long-range hybrid scheme: application to large non-bonded complexes
Erich Goll, Thierry Leininger, Frederick R Manby, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 9, 2012
Improving density functional theory for crystal polymorph energetics
Christopher R Taylor, Peter J Bygrave, Judy N Hart, et al.
The Journal of Physical Chemistry Letters
|
November 13, 2019
Structure and Efficiency in Bacterial Photosynthetic Light Harvesting
Susannah Bourne Worster, Clement Stross, Felix M W C Vaughan, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
July 28, 2022
Informing geometric deep learning with electronic interactions to accelerate quantum chemistry
Zhuoran Qiao, Anders S Christensen, Matthew Welborn, et al.
The Journal of Chemical Physics
|
April 20, 2005
Quantum control of molecular motion including electronic polarization effects with a two-stage toolkit
Gabriel G Balint-Kurti, Frederick R Manby, Qinghua Ren, et al.
The Journal of Chemical Physics
|
January 18, 2006
Quantum control of molecular vibrational and rotational excitations in a homonuclear diatomic molecule: a full three-dimensional treatment with polarization forces
Qinghua Ren, Gabriel G Balint-Kurti, Frederick R Manby, et al.
Page
of 8