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Physical Chemistry Chemical Physics : PCCP|June 25, 2009
Crystal structure prediction for cyclotrimethylene trinitramine (RDX) from first principlesRafal Podeszwa, Betsy M Rice, Krzysztof SzalewiczPhysical Chemistry Chemical Physics : PCCP|August 24, 2011
A molecular dynamics study of 1,1-diamino-2,2-dinitroethylene (FOX-7) crystal using a symmetry adapted perturbation theory-based intermolecular force fieldDeCarlos E Taylor, Fazle Rob, Betsy M Rice, et al.The Journal of Chemical Physics|April 5, 2014
Communication: resolving the three-body contribution to the lattice energy of crystalline benzene: benchmark results from coupled-cluster theoryMatthew R Kennedy, Ashley Ringer McDonald, A Eugene DePrince, et al.Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|August 4, 2016
Report on the sixth blind test of organic crystal structure prediction methodsAnthony M Reilly, Richard I Cooper, Claire S Adjiman, et al.Pageof 1