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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|November 19, 2016
High-Temperature Hydrogen Storage of Multiple Molecules: Theoretical Insights from Metalated CatecholsEhud Tsivion, Srimukh Prasad Veccham, Martin Head-GordonThe Journal of Chemical Physics|March 18, 2014
Assessing electronic structure approaches for gas-ligand interactions in metal-organic frameworks: the CO2-benzene complexJonathon Witte, Jeffrey B Neaton, Martin Head-GordonThe Journal of Chemical Physics|June 24, 2017
Effective empirical corrections for basis set superposition error in the def2-SVPD basis: gCP and DFT-CJonathon Witte, Jeffrey B Neaton, Martin Head-GordonPhysical Chemistry Chemical Physics : PCCP|October 25, 2007
Localized orbital theory and ammonia triboraneJoseph E Subotnik, Alex Sodt, Martin Head-GordonJournal of Chemical Theory and Computation|February 19, 2015
Efficient implementation of the pair atomic resolution of the identity approximation for exact exchange for hybrid and range- separated density functionalsSamuel F Manzer, Evgeny Epifanovsky, Martin Head-GordonThe Journal of Physical Chemistry. A|July 13, 2006
Scaled opposite spin second order Møller-Plesset theory with improved physical description of long-range dispersion interactionsRohini C Lochan, Yousung Jung, Martin Head-GordonThe Journal of Chemical Physics|March 24, 2016
Defining the contributions of permanent electrostatics, Pauli repulsion, and dispersion in density functional theory calculations of intermolecular interaction energiesPaul R Horn, Yuezhi Mao, Martin Head-GordonJournal of the American Chemical Society|October 10, 2002
Characterization of the relevant excited states in the photodissociation of CO-ligated hemoglobin and myoglobinAndreas Dreuw, Barry D Dunietz, Martin Head-GordonPhysical Chemistry Chemical Physics : PCCP|September 30, 2011
Benchmark results for empirical post-GGA functionals: difficult exchange problems and independent testsNarbe Mardirossian, John A Parkhill, Martin Head-GordonThe Journal of Chemical Physics|May 2, 2008
Quasidegenerate scaled opposite spin second order perturbation corrections to single excitation configuration interactionDavid Casanova, Young Min Rhee, Martin Head-GordonPageof 735