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On the Different Characteristics of Medium-Sized van der Waals Molecules Obtainable from ab initio Calculations

Pavel Hobza ; J. Heyrovsky Institute of Physical Chemistry and Electrochemistry, Dolejškova 3, 182 23 Praha 8, Czechoslovakia

Puni tekst: engleski, pdf (11 MB) str. 11-15 preuzimanja: 122* citiraj
APA 6th Edition
Hobza, P. (1992). On the Different Characteristics of Medium-Sized van der Waals Molecules Obtainable from ab initio Calculations. Croatica Chemica Acta, 65 (1), 11-15. Preuzeto s https://hrcak.srce.hr/137252
MLA 8th Edition
Hobza, Pavel. "On the Different Characteristics of Medium-Sized van der Waals Molecules Obtainable from ab initio Calculations." Croatica Chemica Acta, vol. 65, br. 1, 1992, str. 11-15. https://hrcak.srce.hr/137252. Citirano 04.03.2021.
Chicago 17th Edition
Hobza, Pavel. "On the Different Characteristics of Medium-Sized van der Waals Molecules Obtainable from ab initio Calculations." Croatica Chemica Acta 65, br. 1 (1992): 11-15. https://hrcak.srce.hr/137252
Harvard
Hobza, P. (1992). 'On the Different Characteristics of Medium-Sized van der Waals Molecules Obtainable from ab initio Calculations', Croatica Chemica Acta, 65(1), str. 11-15. Preuzeto s: https://hrcak.srce.hr/137252 (Datum pristupa: 04.03.2021.)
Vancouver
Hobza P. On the Different Characteristics of Medium-Sized van der Waals Molecules Obtainable from ab initio Calculations. Croatica Chemica Acta [Internet]. 1992 [pristupljeno 04.03.2021.];65(1):11-15. Dostupno na: https://hrcak.srce.hr/137252
IEEE
P. Hobza, "On the Different Characteristics of Medium-Sized van der Waals Molecules Obtainable from ab initio Calculations", Croatica Chemica Acta, vol.65, br. 1, str. 11-15, 1992. [Online]. Dostupno na: https://hrcak.srce.hr/137252. [Citirano: 04.03.2021.]

Sažetak
Nonempirical ab initio calculations with inclusion of the correlation energy are used to generate, directly or indirectly (via an analytical form of the potential-energy surface), various properties of medium-sized van der Waals molecules. As shown for benzene- • -Ar and the benzene dimer, the calculated characteristics agree with the experimental results. If the experimental values are lacking or if they are uncertain, the theoretical characteristics can be used with confidence.

Hrčak ID: 137252

URI
https://hrcak.srce.hr/137252

Posjeta: 214 *