Authors: Gao, F Bylaska, EJ Weber, WJ Corrales, LR

Citation: F. Gao et al., Native defect properties in beta-SiC: Ab initio and empirical potential calculations, NUCL INST B, 180, 2001, pp. 286-292

Authors: Bylaska, EJ Dixon, DA Felmy, AR

Citation: Ej. Bylaska et al., The free energies of reactions of chlorinated methanes with aqueous monovalent anions: Application of ab initio electronic structure theory, J PHYS CH A, 104(3), 2000, pp. 610-617

Authors: Bylaska, EJ Kawai, R Weare, JH

Citation: Ej. Bylaska et al., From small to large behavior: The transition from the aromatic to the Peierls regime in carbon rings, J CHEM PHYS, 113(15), 2000, pp. 6096-6106

Authors: Kendall, RA Apra, E Bernholdt, DE Bylaska, EJ Dupuis, M Fann, GI Harrison, RJ Ju, JL Nichols, JA Nieplocha, J Straatsma, TP Windus, TL Wong, AT

Citation: Ra. Kendall et al., High performance computational chemistry: An overview of NWChem a distributed parallel application, COMP PHYS C, 128(1-2), 2000, pp. 260-283

Authors: Lubin, MI Bylaska, EJ Weare, JH

Citation: Mi. Lubin et al., Ab initio molecular dynamics simulations of aluminum ion solvation in water clusters, CHEM P LETT, 322(6), 2000, pp. 447-453