Description of the influence of intermolecular interaction on IR spectra's frequencies of simple dense fluids by Monte-Carlo simulation

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Institute of Chemistry

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DOI

https://doi.org/10.1016/0022-2860(84)80075-7
Final published version

S. Kh Akopyan
S. I. Lukyanov
S. V. Shevkunov

The solvent-induced shift in IR spectrum of liquid CO is investigated by Monte-Carlo computer simulation. The intramolecular potential is Morse function, pair intermolecular potential includes short-range and dispertion parts. The calculated shift is 5 cm-1 while the experimental value is 4 cm-1. © 1984.

Original language	English
Pages (from-to)	307-310
Number of pages	4
Journal	Journal of Molecular Structure
Volume	115
Issue number	C
DOIs	https://doi.org/10.1016/0022-2860(84)80075-7
State	Published - 1 Jan 1984

ID: 113684782