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Croatica Chemica Acta, Vol. 43 No. 3, 1971.

Kratko priopćenje

A New Form of the Two-Center Integral and its Application in the Semiempirical LCAO MO Method

E. Zakrajšek ; Department of Chemistry, University of Ljubljana and Chemical Institute Boris Kidric, Ljubljana, Slovenia, Yugoslavia
B. Borštnik ; Department of Chemistry, University of Ljubljana and Chemical Institute Boris Kidric, Ljubljana, Slovenia, Yugoslavia
A. Ažman ; Department of Chemistry, University of Ljubljana and Chemical Institute Boris Kidric, Ljubljana, Slovenia, Yugoslavia

Puni tekst: engleski, pdf (2 MB) str. 189-192 preuzimanja: 66* citiraj
APA 6th Edition
Zakrajšek, E., Borštnik, B. i Ažman, A. (1971). A New Form of the Two-Center Integral and its Application in the Semiempirical LCAO MO Method. Croatica Chemica Acta, 43 (3), 189-192. Preuzeto s https://hrcak.srce.hr/197316
MLA 8th Edition
Zakrajšek, E., et al. "A New Form of the Two-Center Integral and its Application in the Semiempirical LCAO MO Method." Croatica Chemica Acta, vol. 43, br. 3, 1971, str. 189-192. https://hrcak.srce.hr/197316. Citirano 09.03.2021.
Chicago 17th Edition
Zakrajšek, E., B. Borštnik i A. Ažman. "A New Form of the Two-Center Integral and its Application in the Semiempirical LCAO MO Method." Croatica Chemica Acta 43, br. 3 (1971): 189-192. https://hrcak.srce.hr/197316
Harvard
Zakrajšek, E., Borštnik, B., i Ažman, A. (1971). 'A New Form of the Two-Center Integral and its Application in the Semiempirical LCAO MO Method', Croatica Chemica Acta, 43(3), str. 189-192. Preuzeto s: https://hrcak.srce.hr/197316 (Datum pristupa: 09.03.2021.)
Vancouver
Zakrajšek E, Borštnik B, Ažman A. A New Form of the Two-Center Integral and its Application in the Semiempirical LCAO MO Method. Croatica Chemica Acta [Internet]. 1971 [pristupljeno 09.03.2021.];43(3):189-192. Dostupno na: https://hrcak.srce.hr/197316
IEEE
E. Zakrajšek, B. Borštnik i A. Ažman, "A New Form of the Two-Center Integral and its Application in the Semiempirical LCAO MO Method", Croatica Chemica Acta, vol.43, br. 3, str. 189-192, 1971. [Online]. Dostupno na: https://hrcak.srce.hr/197316. [Citirano: 09.03.2021.]

Sažetak
This reduction was interpreted as a readjustment of cr electrons which then »screen« the Coulomb interaction. A similar correction has been applied to the two-,center integral by Pariser and Parr~ with the polynomial interpolation formula or with-. a form suggested by Nishimoto and Mataga

Hrčak ID: 197316

URI
https://hrcak.srce.hr/197316

Posjeta: 126 *