Nonbonded interaction potentials in methyl-substituted butanes, obtained from high-energy overtone spectra.
نویسندگان
چکیده
The observed decrease in local mode anharmonicity with increasing methyl substitution in butane is related to a change in potential energy along a methyl CH-stretching coordinate. The potential energy change is modeled by Lennard-Jones 6-12 and Morse potentials and the resultant potential parameters are discussed.
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ورودعنوان ژورنال:
- Proceedings of the National Academy of Sciences of the United States of America
دوره 78 2 شماره
صفحات -
تاریخ انتشار 1981