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Results: 1-8 |
Results: 8
Remote substituent effects on the oxymercuration of 2-substituted norbornenes: An experimental and theoretical study
Authors: Mayo, P Orlova, G Goddard, JD Tam, W
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
Competition between diradical stepwise and concerted mechanisms in chalcogeno-Diels-Alder reactions: A density functional study
Authors: Orlova, G Goddard, JD
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
Density functional theory predictions for small radicals containing boron and aluminium: broken symmetry problems and solutions
Authors: Orlova, G Goddard, JD
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
Singularities in the behavior of density functionals in predictions of singlet biradicals: The 1,2-dichalcogenins
Authors: Orlova, G Goddard, JD
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
Activation and cleavage of H-R bonds through intermolecular H - H bonding upon reaction of proton donors HR with 18-electron transition metal hydrides
Authors: Orlova, G Scheiner, S Kar, T
Citation: G. Orlova et al., Activation and cleavage of H-R bonds through intermolecular H - H bonding upon reaction of proton donors HR with 18-electron transition metal hydrides, J PHYS CH A, 103(4), 1999, pp. 514-520
Density functional study of tetra-atomic clusters and complexes of the group 16 elements: Trends in structure and bonding
Authors: Orlova, G Goddard, JD
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
Density functional study of systems with nondynamical electron correlation: The S-3, Se-3, and Te-3 potential energy surfaces
Authors: Goddard, JD Chen, XQ Orlova, G
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
Density functional theory with fractionally occupied frontier orbitals andthe instabilities of the Kohn-Sham solutions for defining diradical transition states: Ring-opening reactions
Authors: Goddard, JD Orlova, G
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
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