Studies in molecular dynamics: new criteria for evaluation of intramolecular force fields
| Data(s) |
25/03/2014
25/03/2014
1977
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|---|---|
| Resumo |
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. Department of Physics, Cochin University of Science & Technology Cochin University of Science & Technology |
| Identificador | |
| Idioma(s) |
en |
| Publicador |
Cochin University of Science and Technology |
| Palavras-Chave | #Molicular dynamics #Intramolicular force, |
| Tipo |
Thesis |
