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Title: | Studies in molecular dynamics: new criteria for evaluation of intramolecular force fields |
Other Titles: | new criteria for evaluation of intramolecular force fields |
Authors: | Sasidharan, Nair S Dr.Babu, Joseph K |
Keywords: | Molicular dynamics Intramolicular force, |
Issue Date: | 1977 |
Publisher: | Cochin University of Science and Technology |
Abstract: | The present thesis deals with some studies in molecular dynamics using spectroscopic data. Two new approximation procedures the variable method and the average bonding energy criterion have been developed for a reliable calculation of molecular force fields and applied to several molecular species belonging to the xy2 type. |
Description: | Department of Physics, Cochin University of Science & Technology |
URI: | http://dyuthi.cusat.ac.in/purl/3333 |
Appears in Collections: | Faculty of Sciences
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