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Hybridization in Several Polycyclic Alkanes by the Method of Maximum Overlap

M. Randić ; Institute »Ruder Boskovic«, Zagreb, Croatia, Yugoslavia
J. M. Jerkunica ; Institute »Ruder Boskovic«, Zagreb, Croatia, Yugoslavia
D. Stefanović ; Institute »Ruder Boskovic«, Zagreb, Croatia, Yugoslavia

Puni tekst: engleski, pdf (6 MB) str. 49-54 preuzimanja: 60* citiraj
APA 6th Edition
Randić, M., Jerkunica, J.M. i Stefanović, D. (1966). Hybridization in Several Polycyclic Alkanes by the Method of Maximum Overlap. Croatica Chemica Acta, 38 (1), 49-54. Preuzeto s https://hrcak.srce.hr/208183
MLA 8th Edition
Randić, M., et al. "Hybridization in Several Polycyclic Alkanes by the Method of Maximum Overlap." Croatica Chemica Acta, vol. 38, br. 1, 1966, str. 49-54. https://hrcak.srce.hr/208183. Citirano 06.03.2021.
Chicago 17th Edition
Randić, M., J. M. Jerkunica i D. Stefanović. "Hybridization in Several Polycyclic Alkanes by the Method of Maximum Overlap." Croatica Chemica Acta 38, br. 1 (1966): 49-54. https://hrcak.srce.hr/208183
Harvard
Randić, M., Jerkunica, J.M., i Stefanović, D. (1966). 'Hybridization in Several Polycyclic Alkanes by the Method of Maximum Overlap', Croatica Chemica Acta, 38(1), str. 49-54. Preuzeto s: https://hrcak.srce.hr/208183 (Datum pristupa: 06.03.2021.)
Vancouver
Randić M, Jerkunica JM, Stefanović D. Hybridization in Several Polycyclic Alkanes by the Method of Maximum Overlap. Croatica Chemica Acta [Internet]. 1966 [pristupljeno 06.03.2021.];38(1):49-54. Dostupno na: https://hrcak.srce.hr/208183
IEEE
M. Randić, J.M. Jerkunica i D. Stefanović, "Hybridization in Several Polycyclic Alkanes by the Method of Maximum Overlap", Croatica Chemica Acta, vol.38, br. 1, str. 49-54, 1966. [Online]. Dostupno na: https://hrcak.srce.hr/208183. [Citirano: 06.03.2021.]

Sažetak
The hybridization · in spiropentane, nortricyclene, cu bane, tricyclo(
l.1.0.02,4)butane, bicyclo(l.1.l)pentane, and tetracyclo(3,3.l 2, 8.04,6)
nonane has been determined by the method of maximum
overlap. For the atomic functions Clementi Orbitals (ref. 1) have
been assumed. A comparison between these results and those,
obtained previously, by assuming Slater orbitals indicates the improvements that can be achieved by using more exact wave functions. The overlaps for CC bonds fall into the groups: (1) S < 0.61, (2) 0.61 < S < 0.63 and (3) S > 0.64. They are characteristic of highly
strained three-membered rings, (6 ~ 20°), of four membered rings,
(b ~ 10°), and of normal or very slightly bent bonds, (6 < 5°),
respectively.

Hrčak ID: 208183

URI
https://hrcak.srce.hr/208183

Posjeta: 105 *