Showing results (231-240 of 442) with videos related to
Sort By:
Pageof 45
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.Journal of Chemical Information and Modeling|June 19, 2026
Energetics of Noncovalent Interactions of Protein-Ligand Complexes for Drug DiscoveryYingze Wang, Dong Jun Shin, Martin Head-Gordon, 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.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 NH3:H2O Molecular Ices Containing PurinePartha P Bera, Tamar Stein, Martin Head-Gordon, et al.The Journal of Chemical Physics|February 24, 2019
Mutually polarizable QM/MM model with in situ optimized localized basis functionsJacek Dziedzic, Teresa Head-Gordon, Martin Head-Gordon, et al.The Journal of Physical Chemistry Letters|January 21, 2025
Completely Multipolar Model for Many-Body Water-Ion and Ion-Ion InteractionsJoseph P Heindel, Lukas Kim, Martin Head-Gordon, et al.Pageof 45