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Izvorni znanstveni članak
The Calculation of the Heats of Formation, Heats of Hydrogertation and Strain Energies in Nonconjugated Hydrocarbons by the Maximum Overlap Approximation
K. Kovačević
; Theoretical Chemistry Group, Institute »Ruder Boskovic«
M. Eckert-Maksić
; Theoretical Chemistry Group, Institute »Ruder Boskovic«
Z. B. Maksić
; Theoretical Chemistry Group, Institute »Ruder Boskovic«
| Puni tekst: engleski, pdf (14 MB) | str. 249-259 | citiraj | |
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APA 6th Edition Kovačević, K., Eckert-Maksić, M. i Maksić, Z.B. (1974). The Calculation of the Heats of Formation, Heats of Hydrogertation and Strain Energies in Nonconjugated Hydrocarbons by the Maximum Overlap Approximation. Croatica Chemica Acta, 46 (4), 249-259. Preuzeto s https://hrcak.srce.hr/196808 MLA 8th Edition Kovačević, K., et al. "The Calculation of the Heats of Formation, Heats of Hydrogertation and Strain Energies in Nonconjugated Hydrocarbons by the Maximum Overlap Approximation." Croatica Chemica Acta, vol. 46, br. 4, 1974, str. 249-259. https://hrcak.srce.hr/196808. Citirano 25.02.2021. Chicago 17th Edition Kovačević, K., M. Eckert-Maksić i Z. B. Maksić. "The Calculation of the Heats of Formation, Heats of Hydrogertation and Strain Energies in Nonconjugated Hydrocarbons by the Maximum Overlap Approximation." Croatica Chemica Acta 46, br. 4 (1974): 249-259. https://hrcak.srce.hr/196808 Harvard Kovačević, K., Eckert-Maksić, M., i Maksić, Z.B. (1974). 'The Calculation of the Heats of Formation, Heats of Hydrogertation and Strain Energies in Nonconjugated Hydrocarbons by the Maximum Overlap Approximation', Croatica Chemica Acta, 46(4), str. 249-259. Preuzeto s: https://hrcak.srce.hr/196808 (Datum pristupa: 25.02.2021.) Vancouver Kovačević K, Eckert-Maksić M, Maksić ZB. The Calculation of the Heats of Formation, Heats of Hydrogertation and Strain Energies in Nonconjugated Hydrocarbons by the Maximum Overlap Approximation. Croatica Chemica Acta [Internet]. 1974 [pristupljeno 25.02.2021.];46(4):249-259. Dostupno na: https://hrcak.srce.hr/196808 IEEE K. Kovačević, M. Eckert-Maksić i Z.B. Maksić, "The Calculation of the Heats of Formation, Heats of Hydrogertation and Strain Energies in Nonconjugated Hydrocarbons by the Maximum Overlap Approximation", Croatica Chemica Acta, vol.46, br. 4, str. 249-259, 1974. [Online]. Dostupno na: https://hrcak.srce.hr/196808. [Citirano: 25.02.2021.] |
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Sažetak
The heats of formation in nonconjugated hydrocarbons and
the strain energies of small ring compounds were calculated within
the (MOA) maximum overlap approximation. The agreement ·with ·
experiment is fairly good. The results indicate that the overlap
l:)etween the neighbouring bonding orbitals is responsible for the
greatest part in the heats of formation and that the origin of .the
strain energies in small cyclic hydrocarbons is the bending of the
P cc hybrids. The calculated heats of hydrogenation for some
characteristic olefins are in good qualitative agreement with the ·
experimental values.
Hrčak ID: 196808
URI
https://hrcak.srce.hr/196808
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