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Head-Gordon

Showing results (351-360 of 626) with videos related to

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The Journal of Chemical Physics|June 1, 2022
Computing x-ray absorption spectra from linear-response particles atop optimized holesDiptarka Hait, Katherine J Oosterbaan, Kevin Carter-Fenk, et al.
The Journal of Physical Chemistry. A|December 22, 2006
Dual-basis analytic gradients. 1. Self-consistent field theoryRyan P Steele, Yihan Shao, Robert A DiStasio, et al.
Journal of Chemical Theory and Computation|November 19, 2015
Achieving High-Accuracy Intermolecular Interactions by Combining Coulomb-Attenuated Second-Order Møller-Plesset Perturbation Theory with Coupled Kohn-Sham DispersionYuanhang Huang, Matthew Goldey, Martin Head-Gordon, et al.
The Journal of Organic Chemistry|January 18, 2006
Steric modulations in the reversible dimerizations of phenalenyl radicals via unusually weak carbon-centered pi- and sigma-bondsV Zaitsev, S V Rosokha, M Head-Gordon, et al.
Proceedings of the National Academy of Sciences of the United States of America|January 20, 1999
Evidence for microscopic, long-range hydration forces for a hydrophobic amino acidA Pertsemlidis, A K Soper, J M Sorenson, et al.
Journal of Chemical Theory and Computation|August 30, 2016
Variational Energy Decomposition Analysis of Chemical Bonding. 1. Spin-Pure Analysis of Single BondsDaniel S Levine, Paul R Horn, Yuezhi Mao, et al.
The Journal of Chemical Physics|December 3, 2016
Self-consistent implementation of meta-GGA functionals for the ONETEP linear-scaling electronic structure packageJames C Womack, Narbe Mardirossian, Martin Head-Gordon, et al.
The Journal of Chemical Physics|December 16, 2011
Efficient exploration of reaction paths via a freezing string methodAndrew Behn, Paul M Zimmerman, Alexis T Bell, et al.
Astrobiology|July 15, 2017
Mechanisms of the Formation of Adenine, Guanine, and Their Analogues in UV-Irradiated Mixed NH<sub>3</sub>:H<sub>2</sub>O Molecular Ices Containing PurinePartha P Bera, Tamar Stein, Martin Head-Gordon, 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.
Pageof 63

Showing results (351-360 of 626) with videos related to

Sort By:
Pageof 63
The Journal of Chemical Physics|June 1, 2022
Computing x-ray absorption spectra from linear-response particles atop optimized holesDiptarka Hait, Katherine J Oosterbaan, Kevin Carter-Fenk, et al.
The Journal of Physical Chemistry. A|December 22, 2006
Dual-basis analytic gradients. 1. Self-consistent field theoryRyan P Steele, Yihan Shao, Robert A DiStasio, et al.
Journal of Chemical Theory and Computation|November 19, 2015
Achieving High-Accuracy Intermolecular Interactions by Combining Coulomb-Attenuated Second-Order Møller-Plesset Perturbation Theory with Coupled Kohn-Sham DispersionYuanhang Huang, Matthew Goldey, Martin Head-Gordon, et al.
The Journal of Organic Chemistry|January 18, 2006
Steric modulations in the reversible dimerizations of phenalenyl radicals via unusually weak carbon-centered pi- and sigma-bondsV Zaitsev, S V Rosokha, M Head-Gordon, et al.
Proceedings of the National Academy of Sciences of the United States of America|January 20, 1999
Evidence for microscopic, long-range hydration forces for a hydrophobic amino acidA Pertsemlidis, A K Soper, J M Sorenson, et al.
Journal of Chemical Theory and Computation|August 30, 2016
Variational Energy Decomposition Analysis of Chemical Bonding. 1. Spin-Pure Analysis of Single BondsDaniel S Levine, Paul R Horn, Yuezhi Mao, et al.
The Journal of Chemical Physics|December 3, 2016
Self-consistent implementation of meta-GGA functionals for the ONETEP linear-scaling electronic structure packageJames C Womack, Narbe Mardirossian, Martin Head-Gordon, et al.
The Journal of Chemical Physics|December 16, 2011
Efficient exploration of reaction paths via a freezing string methodAndrew Behn, Paul M Zimmerman, Alexis T Bell, et al.
Astrobiology|July 15, 2017
Mechanisms of the Formation of Adenine, Guanine, and Their Analogues in UV-Irradiated Mixed NH<sub>3</sub>:H<sub>2</sub>O Molecular Ices Containing PurinePartha P Bera, Tamar Stein, Martin Head-Gordon, 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.
Pageof 63