ISSN:
1432-2234
Keywords:
Methinophosphide
;
HCP
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract A near Hartree Fock wave function for HCP has been calculated within the RHF approximation, using a large STO basis set and this is compared with geometry optimisation calculations using a polarised double zeta basis. The population analysis indicates a C≡P bond, and various one electron properties have been computed and compared with the limited experimental data.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00546908