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The Calculation of Molecular Quadrupole Moments in Some Fluorine Containing Compounds by the SCC Method

Z. B. Maksić ; Institute »Ruder Boskovic«, 41000 Zagreb, Croatia, Yugoslavia
J. E. Bloor ; Department of Chemistry, The University of Tennessee, Knoxville, Tennessee 37916, U.S.A.


Puni tekst: engleski pdf 7.997 Kb

str. 435-443

preuzimanja: 285

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Sažetak

Sec (self-consistent charge) method was applied to a series
of related fluorinated hydrocarbons. The calculated anisotropies of
the second moments of the charge and the molecular quadrupoles
are in fairly good agreement with experimental data. The results
indicate that coulomb repulsion between electrons are absorbed·
satisfactorily into the parameterization of the sec method.

Ključne riječi

Hrčak ID:

197192

URI

https://hrcak.srce.hr/197192

Datum izdavanja:

20.3.1973.

Posjeta: 739 *

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