Výsledky vyhledávání - "João Viçozo da Silva Jr."

Akademický článek

Implementação computacional do modelo carga-fluxo de carga-fluxo de dipolo para cálculo e interpretação das intensidades do espectro infravermelho Computational implementation of the model charge-charge flux-dipole flux for calculation and analysis of infrared intensities

Autor: Thiago C. F. Gomes, João Viçozo da Silva Jr., Luciano N. Vidal, Pedro A. M. Vazquez, Roy E. Bruns

Publikováno v: Química Nova, Vol 31, Iss 7, Pp 1750-1754 (2008)

The first computational implementation that automates the procedures involved in the calculation of infrared intensities using the charge-charge flux-dipole flux model is presented. The atomic charges and dipoles from the Quantum Theory of Atoms in M

Externí odkaz: https://doaj.org/article/2a145759e7944913a2e7f2baaeadfb37

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Akademický článek

Quantum Theory of Atoms in Molecules Charge−Charge Flux−Dipole Flux Models for the Infrared Intensities of X2CY (X H, F, Cl; Y O, S) Molecules.

Autor: Sergio H. D. M. Faria, João Viçozo da Silva Jr., Roberto L. A. Haiduke, Luciano N. Vidal, Pedro A. M. Vazquez, Roy E. Bruns

Publikováno v: Journal of Physical Chemistry A; Aug2007, Vol. 111 Issue 32, p7870-7875, 6p

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Akademický článek

QTAIM Charge−Charge Flux−Dipole Flux Models for the Infrared Fundamental Intensities of Difluoro- and Dichloroethylenes.

Autor: João Viçozo da Silva Jr., Sérgio H. D. M. Faria, Roberto L. A. Haiduke, Roy E. Bruns

Publikováno v: Journal of Physical Chemistry A; Jan2007, Vol. 111 Issue 3, p515-520, 6p

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Akademický článek

QTAIM Charge−Charge Flux−Dipole Flux Models for the Infrared Fundamental Intensities of the Fluorochloromethanes.

Autor: João Viçozo da Silva Jr., Roberto L. A. Haiduke, Roy E. Bruns

Publikováno v: Journal of Physical Chemistry A; Apr2006, Vol. 110 Issue 14, p4839-4845, 7p

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