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Journal of the American Chemical Society
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November 17, 2011
Mechanism for singlet fission in pentacene and tetracene: from single exciton to two triplets
Paul M Zimmerman, Franziska Bell, David Casanova, et al.
The Journal of Chemical Physics
|
November 13, 2004
An efficient method for calculating maxima of homogeneous functions of orthogonal matrices: applications to localized occupied orbitals
Joseph E Subotnik, Yihan Shao, Wanzhen Liang, et al.
The Journal of Physical Chemistry. B
|
September 19, 2014
Disordered structural ensembles of vasopressin and oxytocin and their mutants
Eugene Yedvabny, Paul S Nerenberg, Clare So, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 5, 2016
The role of side chain entropy and mutual information for improving the de novo design of Kemp eliminases KE07 and KE70
Asmit Bhowmick, Sudhir C Sharma, Hallie Honma, et al.
The Journal of Chemical Physics
|
March 25, 2006
Second-order correction to perfect pairing: an inexpensive electronic structure method for the treatment of strong electron-electron correlations
Gregory J O Beran, Martin Head-Gordon, Steven R Gwaltney
The Journal of Chemical Physics
|
January 22, 2008
Symmetry breaking in benzene and larger aromatic molecules within generalized valence bond coupled cluster methods
Keith V Lawler, Gregory J O Beran, Martin Head-Gordon
Journal of Chemical Theory and Computation
|
January 25, 2017
A General Sparse Tensor Framework for Electronic Structure Theory
Samuel Manzer, Evgeny Epifanovsky, Anna I Krylov, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 22, 2009
LOBA: a localized orbital bonding analysis to calculate oxidation states, with application to a model water oxidation catalyst
Alex J W Thom, Eric J Sundstrom, Martin Head-Gordon
Journal of Chemical Theory and Computation
|
November 9, 2020
Third-Order Møller-Plesset Theory Made More Useful? The Role of Density Functional Theory Orbitals
Adam Rettig, Diptarka Hait, Luke W Bertels, et al.
The Journal of Physical Chemistry Letters
|
October 19, 2020
A Reactive Force Field with Coarse-Grained Electrons for Liquid Water
Itai Leven, Hongxia Hao, Akshaya Kumar Das, et al.
Page
of 63
Search research articles
Search
Showing results (321-330 of 626) with videos related to
Sort By:
Page
of 63
Journal of the American Chemical Society
|
November 17, 2011
Mechanism for singlet fission in pentacene and tetracene: from single exciton to two triplets
Paul M Zimmerman, Franziska Bell, David Casanova, et al.
The Journal of Chemical Physics
|
November 13, 2004
An efficient method for calculating maxima of homogeneous functions of orthogonal matrices: applications to localized occupied orbitals
Joseph E Subotnik, Yihan Shao, Wanzhen Liang, et al.
The Journal of Physical Chemistry. B
|
September 19, 2014
Disordered structural ensembles of vasopressin and oxytocin and their mutants
Eugene Yedvabny, Paul S Nerenberg, Clare So, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 5, 2016
The role of side chain entropy and mutual information for improving the de novo design of Kemp eliminases KE07 and KE70
Asmit Bhowmick, Sudhir C Sharma, Hallie Honma, et al.
The Journal of Chemical Physics
|
March 25, 2006
Second-order correction to perfect pairing: an inexpensive electronic structure method for the treatment of strong electron-electron correlations
Gregory J O Beran, Martin Head-Gordon, Steven R Gwaltney
The Journal of Chemical Physics
|
January 22, 2008
Symmetry breaking in benzene and larger aromatic molecules within generalized valence bond coupled cluster methods
Keith V Lawler, Gregory J O Beran, Martin Head-Gordon
Journal of Chemical Theory and Computation
|
January 25, 2017
A General Sparse Tensor Framework for Electronic Structure Theory
Samuel Manzer, Evgeny Epifanovsky, Anna I Krylov, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 22, 2009
LOBA: a localized orbital bonding analysis to calculate oxidation states, with application to a model water oxidation catalyst
Alex J W Thom, Eric J Sundstrom, Martin Head-Gordon
Journal of Chemical Theory and Computation
|
November 9, 2020
Third-Order Møller-Plesset Theory Made More Useful? The Role of Density Functional Theory Orbitals
Adam Rettig, Diptarka Hait, Luke W Bertels, et al.
The Journal of Physical Chemistry Letters
|
October 19, 2020
A Reactive Force Field with Coarse-Grained Electrons for Liquid Water
Itai Leven, Hongxia Hao, Akshaya Kumar Das, et al.
Page
of 63