Citation: P. Mayo et al., Remote substituent effects on the oxymercuration of 2-substituted norbornenes: An experimental and theoretical study, J ORG CHEM, 66(15), 2001, pp. 5182-5191
Citation: G. Orlova et Jd. Goddard, Competition between diradical stepwise and concerted mechanisms in chalcogeno-Diels-Alder reactions: A density functional study, J ORG CHEM, 66(11), 2001, pp. 4026-4035
Citation: M. Hoon-khosla et al., Reflection FTIR studies of the conformation of 2,2 '-bipyridine adsorbed at the Au(111) electrode/electrolyte interface, LANGMUIR, 16(5), 2000, pp. 2356-2362
Authors:
De Souza, HF
Guadagnini, PH
Custodio, R
Goddard, JD
Citation: Hf. De Souza et al., The correlation of proton affinities with atomic charges and electronegativities for the group 14 to 17 hydrides, J COMPUT CH, 21(13), 2000, pp. 1119-1131
Citation: G. Orlova et Jd. Goddard, Density functional theory predictions for small radicals containing boron and aluminium: broken symmetry problems and solutions, MOLEC PHYS, 98(14), 2000, pp. 961-966
Authors:
Organ, MG
Dragan, V
Miller, M
Froese, RDJ
Goddard, JD
Citation: Mg. Organ et al., Sakurai addition and ring annulation of allylsilanes with alpha,beta-unsaturated esters. Experimental results and ab initio theoretical predictions examining allylsilane reactivity, J ORG CHEM, 65(12), 2000, pp. 3666-3678
Citation: G. Orlova et Jd. Goddard, Singularities in the behavior of density functionals in predictions of singlet biradicals: The 1,2-dichalcogenins, J CHEM PHYS, 112(23), 2000, pp. 10085-10094
Citation: G. Orlova et Jd. Goddard, Density functional study of tetra-atomic clusters and complexes of the group 16 elements: Trends in structure and bonding, J PHYS CH A, 103(34), 1999, pp. 6825-6834
Citation: Jd. Goddard et al., Density functional study of systems with nondynamical electron correlation: The S-3, Se-3, and Te-3 potential energy surfaces, J PHYS CH A, 103(20), 1999, pp. 4078-4084
Citation: Jd. Goddard et M. Alam, Shear-flow and material instabilities in particulate suspensions and granular media, PART SCI T, 17(1-2), 1999, pp. 69-96
Citation: Jd. Goddard et G. Orlova, Density functional theory with fractionally occupied frontier orbitals andthe instabilities of the Kohn-Sham solutions for defining diradical transition states: Ring-opening reactions, J CHEM PHYS, 111(17), 1999, pp. 7705-7712