Prasad, P. L. ; Singh, Surjit (1975) Calculation of electro optical parameters- a new approach. Application to nitromethane Chemical Physics Letters, 32 (2). pp. 265-270. 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(75)85120-7
Abstract
Electro optical parameters of nitromethane have been calculated using the new approach discussed earlier. CNDO MO calculations have been performed for selection of the preferred sign combination of ∂μ/∂Qi values. Bond moments and their derivatives have been evaluated with and without inclusion of rehybridisation moments.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| ID Code: | 39159 |
| Deposited On: | 09 May 2011 08:46 |
| Last Modified: | 09 May 2011 08:46 |
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