Authors: Tixier, S Shapley, WA Zheng, Y Chong, DP Brion, CE Shi, Z Wolfe, S

Citation: S. Tixier et al., Electron densities for the outer valence orbitals of pyridine: comparison of EMS measurements with near Hartree-Fock limit and density functional theory calculations, CHEM PHYS, 270(2), 2001, pp. 263-276

Authors: Shapley, WA Chong, DP

Citation: Wa. Shapley et Dp. Chong, PW86-PW91 density functional calculation of vertical ionization potentials: Some implications for present-day functionals, INT J QUANT, 81(1), 2001, pp. 34-52

Authors: Shapley, WA Bacskay, GB

Citation: Wa. Shapley et Gb. Bacskay, A Gaussian-2 quantum chemical study of CHNO: Isomerization and molecular dissociation reactions, J PHYS CH A, 103(33), 1999, pp. 6624-6631

Authors: Shapley, WA Bacskay, GB

Citation: Wa. Shapley et Gb. Bacskay, Ab initio quantum chemical studies of the formaldiminoxy (CH2NO) radical: 1. Isomerization reactions, J PHYS CH A, 103(23), 1999, pp. 4505-4513

Authors: Shapley, WA Bacskay, GB

Citation: Wa. Shapley et Gb. Bacskay, Ab initio quantum chemical studies of the formaldiminoxy (CH2NO) radical: 2. Dissociation reactions, J PHYS CH A, 103(23), 1999, pp. 4514-4524

Authors: Shapley, WA Bacskay, GB

Citation: Wa. Shapley et Gb. Bacskay, Ab initio quantum chemical study of the formation, decomposition and isomerization of the formaldiminoxy radical (CH2NO): comparison of the Gaussian-2 and CASPT2 techniques in the calculation of potential energy surfaces, THEOR CH AC, 100(1-4), 1998, pp. 212-221