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Kratko priopćenje
Empirical Calculation of the Diamagnetic Susceptibility of Molecules
Z. B. Maksić
; Theoretical Chemistry Group, Institute »Ruder Boskovic« and Faculty of Natural Sciences, University of Zagreb, Marulicev trg 19, Zagreb, Yugoslavia
| Puni tekst: engleski, pdf (4 MB) | str. 309-316 | citiraj | |
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APA 6th Edition Maksić, Z.B. (1976). Empirical Calculation of the Diamagnetic Susceptibility of Molecules. Croatica Chemica Acta, 48 (3), 309-316. Preuzeto s https://hrcak.srce.hr/196461 MLA 8th Edition Maksić, Z. B.. "Empirical Calculation of the Diamagnetic Susceptibility of Molecules." Croatica Chemica Acta, vol. 48, br. 3, 1976, str. 309-316. https://hrcak.srce.hr/196461. Citirano 26.02.2021. Chicago 17th Edition Maksić, Z. B.. "Empirical Calculation of the Diamagnetic Susceptibility of Molecules." Croatica Chemica Acta 48, br. 3 (1976): 309-316. https://hrcak.srce.hr/196461 Harvard Maksić, Z.B. (1976). 'Empirical Calculation of the Diamagnetic Susceptibility of Molecules', Croatica Chemica Acta, 48(3), str. 309-316. Preuzeto s: https://hrcak.srce.hr/196461 (Datum pristupa: 26.02.2021.) Vancouver Maksić ZB. Empirical Calculation of the Diamagnetic Susceptibility of Molecules. Croatica Chemica Acta [Internet]. 1976 [pristupljeno 26.02.2021.];48(3):309-316. Dostupno na: https://hrcak.srce.hr/196461 IEEE Z.B. Maksić, "Empirical Calculation of the Diamagnetic Susceptibility of Molecules", Croatica Chemica Acta, vol.48, br. 3, str. 309-316, 1976. [Online]. Dostupno na: https://hrcak.srce.hr/196461. [Citirano: 26.02.2021.] |
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Sažetak Hrčak ID: 196461 URI
Recent development of experimental microwave spectroscopy1 and ab
initio oomputational techniques based on Gaussian atomic funciti0!!1:S 2 have
made aV'ailable values of diamagnetic susceptibilities and individual second moments of the electronic charge distributtons for a large IIlUmber of molecules.
The analysis of the experimental results have led Blickensderfer et al.3 to the development of empirical rules for the .out-of plane < c2 > second moments for plranar molecules involving first row atoms and hydrogens. These empirical rules were later rationalized within the zer.o-differential .overlap approximation at the CND0/2 level of sophi:stica1tion4• Subse.quently, iit was shown that simrilar additivi·ty rules hold for in plane second moments < a2 >
and < b2 > 1f .they are calculated fiirst
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