Mehrotra, P. K. ; Chandrasekhar, J. ; Subramanian, S. ; Manoharan, P. T. (1974) Molecular orbital calculation of structures and spin densities of AsCl3- and AsF3- Chemical Physics Letters, 28 (3). pp. 402-406. ISSN 0009-2614
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Official URL: http://linkinghub.elsevier.com/retrieve/pii/000926...
Related URL: http://dx.doi.org/10.1016/0009-2614(74)80377-5
Abstract
Molecular orbital calculations were performed using the LCAO MO iterative extended Huckel procedure on the 27 valence electron species AsF3- and AsC3-. It was found that theory predicts the shape and unpaired spin-density distribution fairly well. The method is potentially useful especially since optimally parametrised CNDO and INDO techniques have not been developed to include the III or IV row elements of the periodic table.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| ID Code: | 7483 |
| Deposited On: | 25 Oct 2010 11:25 |
| Last Modified: | 30 May 2011 07:07 |
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