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David W Small

Showing results (11-20 of 26) with videos related to

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The Journal of Chemical Physics|January 3, 2019
Open-shell coupled-cluster valence-bond theory augmented with an independent amplitude approximation for three-pair correlations: Application to a model oxygen-evolving complex and single molecular magnetJoonho Lee, David W Small, Martin Head-Gordon
The Journal of Physical Chemistry. A|February 10, 2010
Orbitals that are unrestricted in active pairs for generalized valence bond coupled cluster methodsKeith V Lawler, David W Small, Martin Head-Gordon
Journal of Chemical Theory and Computation|November 19, 2015
Coupled Cluster Valence Bond Method: Efficient Computer Implementation and Application to Multiple Bond Dissociations and Strong Correlations in the AcenesDavid W Small, Keith V Lawler, Martin Head-Gordon
The Journal of Chemical Physics|January 17, 2015
Restricted Hartree Fock using complex-valued orbitals: a long-known but neglected tool in electronic structure theoryDavid W Small, Eric J Sundstrom, Martin Head-Gordon
The Journal of Chemical Physics|March 10, 2015
A simple way to test for collinearity in spin symmetry broken wave functions: general theory and application to generalized Hartree FockDavid W Small, Eric J Sundstrom, Martin Head-Gordon
Journal of the American Chemical Society|June 12, 2003
The theory of electron transfer reactions: what may be missing?David W Small, Dmitry V Matyushov, Gregory A Voth
Journal of Chemical Theory and Computation|January 11, 2017
Coupled-Cluster Valence-Bond Singles and Doubles for Strongly Correlated Systems: Block-Tensor Based Implementation and Application to OligoacenesJoonho Lee, David W Small, Evgeny Epifanovsky, et al.
Physical Review Letters|October 2, 2019
Kohn-Sham Density Functional Theory with Complex, Spin-Restricted Orbitals: Accessing a New Class of Densities without the Symmetry DilemmaJoonho Lee, Luke W Bertels, David W Small, et al.
Nature Chemistry|February 12, 2020
Nickel-catalysed anti-Markovnikov hydroarylation of unactivated alkenes with unactivated arenes facilitated by non-covalent interactionsNoam I Saper, Akito Ohgi, David W Small, et al.
Chemical Science|March 25, 2020
Isomerism and dynamic behavior of bridging phosphaalkynes bound to a dicopper complexAmélie Nicolay, Micah S Ziegler, David W Small, et al.
Pageof 3

Showing results (11-20 of 26) with videos related to

Sort By:
Pageof 3
The Journal of Chemical Physics|January 3, 2019
Open-shell coupled-cluster valence-bond theory augmented with an independent amplitude approximation for three-pair correlations: Application to a model oxygen-evolving complex and single molecular magnetJoonho Lee, David W Small, Martin Head-Gordon
The Journal of Physical Chemistry. A|February 10, 2010
Orbitals that are unrestricted in active pairs for generalized valence bond coupled cluster methodsKeith V Lawler, David W Small, Martin Head-Gordon
Journal of Chemical Theory and Computation|November 19, 2015
Coupled Cluster Valence Bond Method: Efficient Computer Implementation and Application to Multiple Bond Dissociations and Strong Correlations in the AcenesDavid W Small, Keith V Lawler, Martin Head-Gordon
The Journal of Chemical Physics|January 17, 2015
Restricted Hartree Fock using complex-valued orbitals: a long-known but neglected tool in electronic structure theoryDavid W Small, Eric J Sundstrom, Martin Head-Gordon
The Journal of Chemical Physics|March 10, 2015
A simple way to test for collinearity in spin symmetry broken wave functions: general theory and application to generalized Hartree FockDavid W Small, Eric J Sundstrom, Martin Head-Gordon
Journal of the American Chemical Society|June 12, 2003
The theory of electron transfer reactions: what may be missing?David W Small, Dmitry V Matyushov, Gregory A Voth
Journal of Chemical Theory and Computation|January 11, 2017
Coupled-Cluster Valence-Bond Singles and Doubles for Strongly Correlated Systems: Block-Tensor Based Implementation and Application to OligoacenesJoonho Lee, David W Small, Evgeny Epifanovsky, et al.
Physical Review Letters|October 2, 2019
Kohn-Sham Density Functional Theory with Complex, Spin-Restricted Orbitals: Accessing a New Class of Densities without the Symmetry DilemmaJoonho Lee, Luke W Bertels, David W Small, et al.
Nature Chemistry|February 12, 2020
Nickel-catalysed anti-Markovnikov hydroarylation of unactivated alkenes with unactivated arenes facilitated by non-covalent interactionsNoam I Saper, Akito Ohgi, David W Small, et al.
Chemical Science|March 25, 2020
Isomerism and dynamic behavior of bridging phosphaalkynes bound to a dicopper complexAmélie Nicolay, Micah S Ziegler, David W Small, et al.
Pageof 3