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The Journal of Physical Chemistry Letters|February 18, 2022
First-Principles Elucidation of Initial Dehydrogenation Pathways in Mg(BH4)2Liwen F Wan, Tom Autrey, Brandon C WoodThe Journal of Chemical Physics|June 15, 2022
Flexible machine-learning interatomic potential for simulating structural disordering behavior of Li7La3Zr2O12 solid electrolytesKwangnam Kim, Aniruddha Dive, Andrew Grieder, et al.The Journal of Physical Chemistry. A|October 28, 2017
Calorimetric Study of the Activation of Hydrogen by Tris(pentafluorophenyl)borane and TrimesitylphosphineAdrian Y Houghton, Tom AutreyInorganic Chemistry|March 18, 2010
Hydrogen release studies of alkali metal amidoboranesAvery T Luedtke, Tom AutreyFaraday Discussions|March 30, 2012
Control of hydrogen release and uptake in amine borane molecular complexes: thermodynamics of ammonia borane, ammonium borohydride, and the diammoniate of diboraneTom Autrey, Mark Bowden, Abhi KarkamkarThe Journal of Chemical Physics|October 17, 2009
Bonding in boranes and their interaction with molecular hydrogen at extreme conditionsShibing Wang, Wendy L Mao, Tom AutreyJournal of the American Chemical Society|September 23, 2014
The solvation structure of Mg ions in dichloro complex solutions from first-principles molecular dynamics and simulated X-ray absorption spectraLiwen F Wan, David PrendergastChemical Society Reviews|September 19, 2019
Solid-state hydrogen rich boron-nitrogen compounds for energy storageRahul Kumar, Abhi Karkamkar, Mark Bowden, et al.The Journal of Organic Chemistry|November 9, 2002
Model compound studies of the beta-O-4 linkage in lignin: absolute rate expressions for beta-scission of phenoxyl radical from 1-phenyl-2-phenoxyethanol-1-yl radicalPramod H Kandanarachchi, Tom Autrey, James A FranzPhysical Chemistry Chemical Physics : PCCP|August 19, 2015
Re-examining the Chevrel phase Mo6S8 cathode for Mg intercalation from an electronic structure perspectiveFlorian Thöle, Liwen F Wan, David PrendergastPageof 12