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From the Wave Function to Structural Formula

Robert Ponec ; Institute of Chemical Process Fundamentals, Academy of Sciences of the Czech Republic, Prague 6, Suchdol 2, Czech Republic

Puni tekst: engleski, pdf (27 MB) str. 55-66 preuzimanja: 130* citiraj
APA 6th Edition
Ponec, R. (1994). From the Wave Function to Structural Formula. Croatica Chemica Acta, 67 (1), 55-66. Preuzeto s https://hrcak.srce.hr/136895
MLA 8th Edition
Ponec, Robert. "From the Wave Function to Structural Formula." Croatica Chemica Acta, vol. 67, br. 1, 1994, str. 55-66. https://hrcak.srce.hr/136895. Citirano 24.02.2021.
Chicago 17th Edition
Ponec, Robert. "From the Wave Function to Structural Formula." Croatica Chemica Acta 67, br. 1 (1994): 55-66. https://hrcak.srce.hr/136895
Harvard
Ponec, R. (1994). 'From the Wave Function to Structural Formula', Croatica Chemica Acta, 67(1), str. 55-66. Preuzeto s: https://hrcak.srce.hr/136895 (Datum pristupa: 24.02.2021.)
Vancouver
Ponec R. From the Wave Function to Structural Formula. Croatica Chemica Acta [Internet]. 1994 [pristupljeno 24.02.2021.];67(1):55-66. Dostupno na: https://hrcak.srce.hr/136895
IEEE
R. Ponec, "From the Wave Function to Structural Formula", Croatica Chemica Acta, vol.67, br. 1, str. 55-66, 1994. [Online]. Dostupno na: https://hrcak.srce.hr/136895. [Citirano: 24.02.2021.]

Sažetak
The recently proposed pairon population analysis based on geminal expansion of pair densities is applied to the investigation of the molecular structure of several simple molecules. It has been shown that the values of pairon populations straightforwardly reproduce the classical structural formula and, thus provide a new and surprisingly simple means of extracting structural information form the wave function.

Hrčak ID: 136895

URI
https://hrcak.srce.hr/136895

Posjeta: 215 *