Showing results (61-70 of 7,346) with videos related to
Sort By:
Pageof 735
Physical Chemistry Chemical Physics : PCCP|June 16, 2006
A fast correlated electronic structure method for computing interaction energies of large van der Waals complexes applied to the fullerene-porphyrin dimerYousung Jung, Martin Head-GordonThe Journal of Chemical Physics|August 22, 2008
The spin-flip extended single excitation configuration interaction methodDavid Casanova, Martin Head-GordonThe Journal of Physical Chemistry. A|December 23, 2016
Efficient Implementation of Energy Decomposition Analysis for Second-Order Møller-Plesset Perturbation Theory and Application to Anion-π InteractionsJonathan Thirman, Martin Head-GordonJournal of Chemical Theory and Computation|November 25, 2015
Fast Sparse Cholesky Decomposition and Inversion using Nested Dissection Matrix ReorderingKai Brandhorst, Martin Head-GordonThe Journal of Physical Chemistry Letters|June 27, 2019
Probing Blue-Shifting Hydrogen Bonds with Adiabatic Energy Decomposition AnalysisYuezhi Mao, Martin Head-GordonThe Journal of Chemical Physics|May 17, 2014
Exploring the limit of accuracy for density functionals based on the generalized gradient approximation: local, global hybrid, and range-separated hybrid functionals with and without dispersion correctionsNarbe Mardirossian, Martin Head-GordonPhysical Chemistry Chemical Physics : PCCP|October 24, 2009
Restricted active space spin-flip configuration interaction approach: theory, implementation and examplesDavid Casanova, Martin Head-GordonMolecular Physics|March 10, 2022
Molecular Magnetizabilities Computed Via Finite Fields: Assessing Alternatives to MP2 and Revisiting Magnetic Exaltations in Aromatic and Antiaromatic SpeciesTim Stauch, Brad Ganoe, Jonathan Wong, et al.The Journal of Chemical Physics|March 25, 2014
Non-orthogonal configuration interaction for the calculation of multielectron excited statesEric J Sundstrom, Martin Head-GordonThe Journal of Physical Chemistry Letters|April 18, 2017
Quantifying the Role of Orbital Contraction in Chemical BondingDaniel S Levine, Martin Head-GordonPageof 735