Croatica Chemica Acta, Vol. 62 No. 4, 1989.
Izlaganje sa skupa
Studies of Electronic Structure of Saturated Organic Molecules
V. Gineityte
; Institute of Physics, K. Poželos 54, Vilnius 232600, USSR
D. Shatkovskaya
; Vilnius University, Sauletekio 9, Vilnius 232051, USSR
Sažetak
The common effective Hamiltonian of the class of saturated
hvdrocarbons has been constructed and the expressions of'
density matrix (DM) elements for these systems have been
obtained using the perturbation theory for DM. It has been shown
that the transferrability of the characteristics of the electronic
structure pertaining to identical atoms and bonds follows the
transferrability of the elements of DM. The heteroatom influence
on DM of saturated organic systems has been investigated.
Ključne riječi
Hrčak ID:
175825
URI
Datum izdavanja:
25.2.1990.
Posjeta: 822 *