|
|||||
|
|
A comparative study of species N3 and P3 |
|
| Authors: | J N Murrell O Novaro S Castillo |
| Institution: | Instituto de Física, UNAM, A.P. 20-364, 01000 México, D.F., México Daresbury Laboratory, SERC, Warrington WA4 4AD, UK |
| Abstract: | Calculations on linear and bent structures of N3 and P3 show that these species are quite different. N3 is linear, P3 is bent almost to a D3h geometry. The symmetry of P3 in D3h is 2E″ but the Jahn-Teller distortion is very small, ≈4°. The many-body expansion of the energy of Pn clusters appears to be only slowly convergent. |
| Keywords: | |
| 本文献已被 ScienceDirect 等数据库收录！ | |