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Type: Artigo de periódico
Title: Interpretation Of Infrared Intensities Based On The Atomic Polar Tensor Partition. The Roh Molecules (r = H, Ch3, Nh2, Oh, F)
Author: Ferreira M.M.C.
Abstract: The Atomic Polar Tensors (APT) of the H atom for ROH molecules where R = H, CH3, NH2, HO and F, are calculated by the ab initio method using the 4-31 G basis set. The results are interpreted in terms of the charge, charge-flux, atomic dipole flux and homopolar dipole flux contributions. © 1990.
Rights: fechado
Identifier DOI: 10.1016/0022-2860(90)80281-N
Date Issue: 1990
Appears in Collections:Unicamp - Artigos e Outros Documentos

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