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Physical Chemistry Chemical Physics : PCCP|December 22, 2009
LOBA: a localized orbital bonding analysis to calculate oxidation states, with application to a model water oxidation catalystAlex J W Thom, Eric J Sundstrom, Martin Head-GordonChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|April 7, 2026
Impacts of Quinone Structure on Trade-Offs Between Redox Potential and CO<sub>2</sub> Binding StrengthJack S Taylor, Alexander C Forse, Alex J W ThomJournal of Chemical Theory and Computation|November 19, 2020
Towards a Holomorphic Density Functional TheoryRhiannon A Zarotiadis, Hugh G A Burton, Alex J W ThomJournal of Chemical Theory and Computation|May 4, 2019
Preconditioning and Perturbative Estimators in Full Configuration Interaction Quantum Monte CarloNick S Blunt, Alex J W Thom, Charles J C ScottThe Journal of Chemical Physics|February 3, 2019
Complex adiabatic connection: A hidden non-Hermitian path from ground to excited statesHugh G A Burton, Alex J W Thom, Pierre-François LoosThe Journal of Chemical Physics|September 8, 2011
Breaking the carbon dimer: the challenges of multiple bond dissociation with full configuration interaction quantum Monte Carlo methodsGeorge H Booth, Deidre Cleland, Alex J W Thom, et al.Journal of Chemical Theory and Computation|July 2, 2019
Parity-Time Symmetry in Hartree-Fock TheoryHugh G A Burton, Alex J W Thom, Pierre-François LoosJournal of Chemical Theory and Computation|August 1, 2018
Modeling Electron Transfers Using Quasidiabatic Hartree-Fock StatesKristopher T Jensen, Raz L Benson, Salvatore Cardamone, et al.The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|September 2, 2022
Trade-Off between Redox Potential and the Strength of Electrochemical CO<sub>2</sub> Capture in QuinonesAnna T Bui, Niamh A Hartley, Alex J W Thom, et al.Physical Review. E|May 20, 2022
Making the most of data: Quantum Monte Carlo postanalysis revisitedTom Ichibha, Verena A Neufeld, Kenta Hongo, et al.Pageof 6