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https://dspace.ffh.bg.ac.rs/handle/123456789/1976| Title: | Calculation of partition functions of tetra-atomic molecules | Authors: | Radić-Perić, Jelena | Issue Date: | 1-Dec-1991 | Journal: | Journal of Mathematical Chemistry | Abstract: | A calculation of partition functions of tetra-atomic molecules performed on the basis of the date obtained by means of the ab initio quantum mechanical method is proposed. The symmetry coordinates are used for partitioning the vibrational secular problem. The results for N2H2 and C2H2 molecules are presented. The accuracy is found to be comparable with those of results obtained using the experimentally derived structural parameters. © 1991 J.C. Baltzer AG, Scientific Publishing Company. |
URI: | https://dspace.ffh.bg.ac.rs/handle/123456789/1976 | ISSN: | 0259-9791 | DOI: | 10.1007/BF01166942 |
| Appears in Collections: | Journal Article |
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