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Your search keyword '"Machado, Francisco B.C."' showing total 2 results
Start Over Author "Machado, Francisco B.C." Journal journal of chemical physics
2 results on '"Machado, Francisco B.C."'

1. Energetic and structural features of the CH[sub 4]+O(sup 3]P)...CH[sub 3]+OH abstraction...

Author

Robert-Neto, Orlando, Machado, Francisco B.C., and Truhlar, Donald G.

Subjects
*CHEMICAL reactions, *PERTURBATION theory
Abstract

Examines the stationary point of abstraction reaction at the fully optimized reaction space (FORS) level. Single-point calculations by unrestricted Moller-Plesset fourth order perturbation theory; Values of the activation energies.

Published
1999
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2. Erratum: "Energetic and structural features of the CH[sub 4]+O([sup 3]P)→CH[sub 3]+OH abstraction reaction: Does perturbation theory from a multiconfiguration reference state (finally) provide a balanced treatment of transition states?" [J. Ch...

Author

Roberto-Neto, Orlando, Machado, Francisco B. C., Machado, Francisco B.C., and Truhlar, Donald G.

Subjects
PERTURBATION theory, PHYSICAL & theoretical chemistry
Abstract

Presents corrections to the article, entitled `Energetic and structural features of the CH[sub 4]+O([sup 3]P) CH[sub 3]+OH abstraction reaction: Does perturbation theory from a multiconfiguration reference state (finally) provide a balanced treatment of transition states?,' published in the volume 111 issue of the `Journal of Chemical Physics'.

Published
2000
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