Force fields and vibrational spectra of M2O and MOH (M = Li,Na) molecules according to data from nonempirical MO-LCAO-SCF calculations期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

Force fields and vibrational spectra of M2O and MOH (M = Li,Na) molecules according to data from nonempirical MO-LCAO-SCF calculations

Authors:	T. P. Pogrebnaya V. G. Solomonik V. N. Vinogradova M. I. Godneva

Affiliation:	(1) Ivanovo Chemical-Engineering Institute, USSR;(2) Ivanovo Textile Institute, USSR

Abstract:	The geometric structure, force fields, and vibrational spectra of M₂O and MOH (M=Li, Na) molecules have been investigated. The size of the d basis on the oxygen atom has a significant influence only on the frequency of the deformation vibration ₃. Experimentally unknown constants of the molecules considered have been evaluated.Translated from Teoreticheskaya i Éksperimental'naya Khimiya, Vol. 22, No. 6, pp. 724–728, November–December, 1986.

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