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Journal of Chemical Theory and Computation|April 17, 2018
Atomic Orbital Implementation of Extended Symmetry-Adapted Perturbation Theory (XSAPT) and Benchmark Calculations for Large Supramolecular ComplexesKa Un Lao, John M HerbertProceedings. Biological Sciences|June 3, 1998
The spatial region of integration for visual symmetry detectionS C Dakin, A M HerbertThe Journal of Chemical Physics|May 4, 2026
Benchmark assessment of collinear, mixed-reference, and spin-adapted variants of spin-flip time-dependent density functional theory, for closed- and open-shell moleculesAvik Kumar Ojha, John M HerbertChemical Science|June 7, 2021
Electrostatics does not dictate the slip-stacked arrangement of aromatic π-π interactionsKevin Carter-Fenk, John M HerbertZoology (Jena, Germany)|September 2, 2018
Biomechanics of the jaw of the durophagous bonnethead sharkAmanda M Herbert, Philip J MottaThe Journal of Chemical Physics|October 26, 2010
A one-electron model for the aqueous electron that includes many-body electron-water polarization: Bulk equilibrium structure, vertical electron binding energy, and optical absorption spectrumLeif D Jacobson, John M HerbertThe Journal of Chemical Physics|January 7, 2005
Curvy-steps approach to constraint-free extended-Lagrangian ab initio molecular dynamics, using atom-centered basis functions: convergence toward Born-Oppenheimer trajectoriesJohn M Herbert, Martin Head-GordonJournal of Chemical Theory and Computation|April 7, 2016
Energy Decomposition Analysis with a Stable Charge-Transfer Term for Interpreting Intermolecular InteractionsKa Un Lao, John M HerbertPhysical Chemistry Chemical Physics : PCCP|October 22, 2005
Accelerated, energy-conserving Born-Oppenheimer molecular dynamics via Fock matrix extrapolationJohn M Herbert, Martin Head-GordonJournal of Cellular Physiology|February 1, 1989
Heparin interactions with cultured human vascular endothelial and smooth muscle cells: incidence on vascular smooth muscle cell proliferationJ M Herbert, J P MaffrandPageof 67