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On the Definitions of Bond Index and Valence for Correlated Wave Functions

Robert Ponec ; Institute of Chemical Process Fundamentals, Academy of Sciences of the Czech Republic, Prague 6, Suchdol 2, 165 02, Czech Republic
Filip Uhlik ; Institute of Chemical Process Fundamentals, Academy of Sciences of the Czech Republic, Prague 6, Suchdol 2, 165 02, Czech Republic
David L. Cooper ; Department of Chemistry, University of Liverpool, po. Box 147, Liverpool L69 3BX, UK
Karl Jug ; Theoretische Chemie, Universitat Hannover, Am Kleinen Felde 30, Hannover, D 3000, Germany

Puni tekst: engleski, pdf (2 MB) str. 933-940 preuzimanja: 313* citiraj
APA 6th Edition
Ponec, R., Uhlik, F., Cooper, D.L. i Jug, K. (1996). On the Definitions of Bond Index and Valence for Correlated Wave Functions. Croatica Chemica Acta, 69 (3), 933-940. Preuzeto s https://hrcak.srce.hr/177122
MLA 8th Edition
Ponec, Robert, et al. "On the Definitions of Bond Index and Valence for Correlated Wave Functions." Croatica Chemica Acta, vol. 69, br. 3, 1996, str. 933-940. https://hrcak.srce.hr/177122. Citirano 29.07.2021.
Chicago 17th Edition
Ponec, Robert, Filip Uhlik, David L. Cooper i Karl Jug. "On the Definitions of Bond Index and Valence for Correlated Wave Functions." Croatica Chemica Acta 69, br. 3 (1996): 933-940. https://hrcak.srce.hr/177122
Harvard
Ponec, R., et al. (1996). 'On the Definitions of Bond Index and Valence for Correlated Wave Functions', Croatica Chemica Acta, 69(3), str. 933-940. Preuzeto s: https://hrcak.srce.hr/177122 (Datum pristupa: 29.07.2021.)
Vancouver
Ponec R, Uhlik F, Cooper DL, Jug K. On the Definitions of Bond Index and Valence for Correlated Wave Functions. Croatica Chemica Acta [Internet]. 1996 [pristupljeno 29.07.2021.];69(3):933-940. Dostupno na: https://hrcak.srce.hr/177122
IEEE
R. Ponec, F. Uhlik, D.L. Cooper i K. Jug, "On the Definitions of Bond Index and Valence for Correlated Wave Functions", Croatica Chemica Acta, vol.69, br. 3, str. 933-940, 1996. [Online]. Dostupno na: https://hrcak.srce.hr/177122. [Citirano: 29.07.2021.]

Sažetak
Definitions of bond index and valence for correlated wave functions
are discussed. The utility of renormalizing Wiberg bond indices is
investigated for a series of simple molecules at the spin-coupled
level of theory.

Hrčak ID: 177122

URI
https://hrcak.srce.hr/177122

Posjeta: 419 *