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Results: 1-8 |
Results: 8
EXTREMELY LOCALIZED MOLECULAR-ORBITALS (ELMO) - A NONORTHOGONAL HARTREE-FOCK METHOD
Authors: COUTY M BAYSE CA HALL MB
Citation: M. Couty et al., EXTREMELY LOCALIZED MOLECULAR-ORBITALS (ELMO) - A NONORTHOGONAL HARTREE-FOCK METHOD, Theoretical chemistry accounts, 97(1-4), 1997, pp. 96-109
GENERALIZED MOLECULAR-ORBITAL THEORY .2.
Authors: COUTY M HALL MB
Citation: M. Couty et Mb. Hall, GENERALIZED MOLECULAR-ORBITAL THEORY .2., The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(37), 1997, pp. 6936-6944
AB-INITIO CALCULATIONS OF THE GEOMETRY AND VIBRATIONAL FREQUENCIES OFTHE TRIPLET-STATE OF TUNGSTEN PENTACARBONYL AMINE - A MODEL FOR THE UNIFICATION OF THE PRERESONANCE RAMAN AND THE TIME-RESOLVED INFRARED EXPERIMENTS
Authors: ZARIC S COUTY M HALL MB
Citation: S. Zaric et al., AB-INITIO CALCULATIONS OF THE GEOMETRY AND VIBRATIONAL FREQUENCIES OFTHE TRIPLET-STATE OF TUNGSTEN PENTACARBONYL AMINE - A MODEL FOR THE UNIFICATION OF THE PRERESONANCE RAMAN AND THE TIME-RESOLVED INFRARED EXPERIMENTS, Journal of the American Chemical Society, 119(12), 1997, pp. 2885-2888
BASIS-SETS FOR TRANSITION-METALS - OPTIMIZED OUTER P-FUNCTION
Authors: COUTY M HALL MB
Citation: M. Couty et Mb. Hall, BASIS-SETS FOR TRANSITION-METALS - OPTIMIZED OUTER P-FUNCTION, Journal of computational chemistry, 17(11), 1996, pp. 1359-1370
CONTROVERSIAL EXOTHERMICITY OF THE OXIDATIVE ADDITION OF METHANE TO (CYCLOPENTADIENYL)RHODIUM CARBONYL
Authors: COUTY M BAYSE CA JIMENEZCATANO R HALL MB
Citation: M. Couty et al., CONTROVERSIAL EXOTHERMICITY OF THE OXIDATIVE ADDITION OF METHANE TO (CYCLOPENTADIENYL)RHODIUM CARBONYL, Journal of physical chemistry, 100(33), 1996, pp. 13976-13978
TRANSITION-METAL POLYHYDRIDE COMPLEXES .8. PENTAHYDRIDO(CYCLOPENTADIENYL)OSMIUM(VI)
Authors: BAYSE CA COUTY M HALL MB
Citation: Ca. Bayse et al., TRANSITION-METAL POLYHYDRIDE COMPLEXES .8. PENTAHYDRIDO(CYCLOPENTADIENYL)OSMIUM(VI), Journal of the American Chemical Society, 118(37), 1996, pp. 8916-8919
COMPARISON OF MOLLER-PLESSET PERTURBATION-METHODS, COMPLETE ACTIVE SPACE SELF-CONSISTENT-FIELD THEORY, AND A NEW GENERALIZED MOLECULAR-ORBITAL METHOD FOR OXYGEN-ATOM TRANSFER FROM A MOLYBDENUM COMPLEX TO A PHOSPHINE
Authors: PIETSCH MA COUTY M HALL MB
Citation: Ma. Pietsch et al., COMPARISON OF MOLLER-PLESSET PERTURBATION-METHODS, COMPLETE ACTIVE SPACE SELF-CONSISTENT-FIELD THEORY, AND A NEW GENERALIZED MOLECULAR-ORBITAL METHOD FOR OXYGEN-ATOM TRANSFER FROM A MOLYBDENUM COMPLEX TO A PHOSPHINE, Journal of physical chemistry, 99(44), 1995, pp. 16315-16319
ON THE DETERMINATION OF EFFECTIVE ONE-ELECTRON HAMILTONIANS TO BE USED FOR STUDYING LARGE MOLECULES
Authors: COUTY M LEVY B
Citation: M. Couty et B. Levy, ON THE DETERMINATION OF EFFECTIVE ONE-ELECTRON HAMILTONIANS TO BE USED FOR STUDYING LARGE MOLECULES, International journal of quantum chemistry, 52(1), 1994, pp. 59-70
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