I. Kaplunov, V. Turovtsev, Yu. S. Orlov, M. Gavalyan
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引用次数: 0
Abstract
Calculations are made of the gaseous GeO valent oscillation frequency in different quantum-mechanical models. Collation with experiment is given. A correlation is found between the calculated values of r (Ge-O) relations with harmonic oscillation frequency. The parameters of the linear regression “harmonic frequency – bond length” are obtained. Calibration of the quantum-chemical methods for the calculation of GeO properties is carried out.
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