ISSN:
1432-2234
Schlagwort(e):
Polarizabilities, CNDO calculation of ∼
Quelle:
Springer Online Journal Archives 1860-2000
Thema:
Chemie und Pharmazie
Notizen:
Abstract The polarizabilities of a number of small and medium size molecules are calculated using CNDO/2 wave functions. The first-order and the second-order perturbation equations are solved by variational procedures. The results are encouraging for the component along the internuclear axes and in the molecular plane. The effect of deorthogonalization of the CNDO/2 orbitals is discussed.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1007/BF00551458
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