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Journal of the American Chemical Society|November 22, 2014
Hydrogen physisorption on metal-organic framework linkers and metalated linkers: a computational study of the factors that control binding strengthEhud Tsivion, Jeffrey R Long, Martin Head-GordonThe Journal of Chemical Physics|May 23, 2016
Push it to the limit: Characterizing the convergence of common sequences of basis sets for intermolecular interactions as described by density functional theoryJonathon Witte, Jeffrey B Neaton, Martin Head-GordonPhysical Chemistry Chemical Physics : PCCP|February 9, 2017
Energy decomposition analysis in an adiabatic pictureYuezhi Mao, Paul R Horn, Martin Head-GordonThe Journal of Chemical Physics|April 26, 2011
The formulation and performance of a perturbative correction to the perfect quadruples modelJohn A Parkhill, Julian Azar, Martin Head-GordonChimia|May 4, 2018
Understanding Non-Covalent Interactions: Correlated Energy Decomposition Analysis and Applications to Halogen BondingJerome F Gonthier, Jonathan Thirman, Martin Head-GordonThe Journal of Chemical Physics|January 22, 2008
The limits of local correlation theory: electronic delocalization and chemically smooth potential energy surfacesJoseph E Subotnik, Alex Sodt, Martin Head-GordonJournal of Chemical Theory and Computation|November 19, 2015
A Quasidegenerate Second-Order Perturbation Theory Approximation to RAS-nSF for Excited States and Strong CorrelationsNicholas J Mayhall, Matthew Goldey, Martin Head-GordonJournal of Chemical Theory and Computation|December 3, 2015
Quartic-Scaling Analytical Energy Gradient of Scaled Opposite-Spin Second-Order Møller-Plesset Perturbation TheoryRohini C Lochan, Yihan Shao, Martin Head-GordonThe Journal of Chemical Physics|December 3, 2008
Development and application of a hybrid method involving interpolation and ab initio calculations for the determination of transition statesAnthony Goodrow, Alexis T Bell, Martin Head-GordonThe Journal of Chemical Physics|March 5, 2009
The perfect quadruples model for electron correlation in a valence active spaceJohn A Parkhill, Keith Lawler, Martin Head-GordonPageof 735