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Head-Gordon

Showing results (271-280 of 626) with videos related to

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Nature Communications|January 23, 2020
Interplay of water and a supramolecular capsule for catalysis of reductive elimination reaction from goldValerie Vaissier Welborn, Wan-Lu Li, Teresa Head-Gordon
The Journal of Chemical Physics|May 20, 2009
The numerical condition of electron correlation theories when only active pairs of electrons are spin-unrestrictedKeith V Lawler, John A Parkhill, Martin Head-Gordon
The Journal of Chemical Physics|August 24, 2015
Restricted and unrestricted non-Hermitian Hartree-Fock: Theory, practical considerations, and applications to metastable molecular anionsAlec F White, C William McCurdy, Martin Head-Gordon
Journal of Chemical Theory and Computation|November 27, 2015
Non-Covalent Interactions with Dual-Basis Methods: Pairings for Augmented Basis SetsRyan P Steele, Robert A DiStasio, Martin Head-Gordon
Journal of Chemical Theory and Computation|September 2, 2022
Revisiting the Orbital Energy-Dependent Regularization of Orbital-Optimized Second-Order Møller-Plesset TheoryAdam Rettig, James Shee, Joonho Lee, et al.
Nature Communications|May 25, 2022
Assessing the stability of Pd-exchanged sites in zeolites with the aid of a high throughput quantum chemistry workflowHassan A Aljama, Martin Head-Gordon, Alexis T Bell
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 25, 2015
Selection and Validation of Charge and Lennard-Jones Parameters for QM/MM Simulations of Hydrocarbon Interactions with ZeolitesPaul M Zimmerman, Martin Head-Gordon, Alexis T Bell
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 Physical Chemistry Letters|January 18, 2018
Is Subsurface Oxygen Necessary for the Electrochemical Reduction of CO<sub>2</sub> on Copper?Alejandro J Garza, Alexis T Bell, Martin Head-Gordon
Pageof 63

Showing results (271-280 of 626) with videos related to

Sort By:
Pageof 63
Nature Communications|January 23, 2020
Interplay of water and a supramolecular capsule for catalysis of reductive elimination reaction from goldValerie Vaissier Welborn, Wan-Lu Li, Teresa Head-Gordon
The Journal of Chemical Physics|May 20, 2009
The numerical condition of electron correlation theories when only active pairs of electrons are spin-unrestrictedKeith V Lawler, John A Parkhill, Martin Head-Gordon
The Journal of Chemical Physics|August 24, 2015
Restricted and unrestricted non-Hermitian Hartree-Fock: Theory, practical considerations, and applications to metastable molecular anionsAlec F White, C William McCurdy, Martin Head-Gordon
Journal of Chemical Theory and Computation|November 27, 2015
Non-Covalent Interactions with Dual-Basis Methods: Pairings for Augmented Basis SetsRyan P Steele, Robert A DiStasio, Martin Head-Gordon
Journal of Chemical Theory and Computation|September 2, 2022
Revisiting the Orbital Energy-Dependent Regularization of Orbital-Optimized Second-Order Møller-Plesset TheoryAdam Rettig, James Shee, Joonho Lee, et al.
Nature Communications|May 25, 2022
Assessing the stability of Pd-exchanged sites in zeolites with the aid of a high throughput quantum chemistry workflowHassan A Aljama, Martin Head-Gordon, Alexis T Bell
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 25, 2015
Selection and Validation of Charge and Lennard-Jones Parameters for QM/MM Simulations of Hydrocarbon Interactions with ZeolitesPaul M Zimmerman, Martin Head-Gordon, Alexis T Bell
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 Physical Chemistry Letters|January 18, 2018
Is Subsurface Oxygen Necessary for the Electrochemical Reduction of CO<sub>2</sub> on Copper?Alejandro J Garza, Alexis T Bell, Martin Head-Gordon
Pageof 63