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Additivity of Bond Energies in the Light of the Maximum Overlap Approximation (MOA) and MIND0/3

Michael J. S. Dewar ; Department of Chemistry, The University of Texas at Austin, Austin, Texas 78712, USA
Donald H . Lo ; Department of Chemistry, The University of Texas at Austin, Austin, Texas 78712, USA
Zvonimir B. Maksić ; Department of Chemistry, The University of Texas at Austin, Austin, Texas 78712, USA

Puni tekst: engleski, pdf (7 MB) str. 7-13 preuzimanja: 66* citiraj
APA 6th Edition
Dewar, M.J.S., Lo, D.H. i Maksić, Z.B. (1974). Additivity of Bond Energies in the Light of the Maximum Overlap Approximation (MOA) and MIND0/3. Croatica Chemica Acta, 46 (1), 7-13. Preuzeto s https://hrcak.srce.hr/196831
MLA 8th Edition
Dewar, Michael J. S., et al. "Additivity of Bond Energies in the Light of the Maximum Overlap Approximation (MOA) and MIND0/3." Croatica Chemica Acta, vol. 46, br. 1, 1974, str. 7-13. https://hrcak.srce.hr/196831. Citirano 27.07.2021.
Chicago 17th Edition
Dewar, Michael J. S., Donald H . Lo i Zvonimir B. Maksić. "Additivity of Bond Energies in the Light of the Maximum Overlap Approximation (MOA) and MIND0/3." Croatica Chemica Acta 46, br. 1 (1974): 7-13. https://hrcak.srce.hr/196831
Harvard
Dewar, M.J.S., Lo, D.H., i Maksić, Z.B. (1974). 'Additivity of Bond Energies in the Light of the Maximum Overlap Approximation (MOA) and MIND0/3', Croatica Chemica Acta, 46(1), str. 7-13. Preuzeto s: https://hrcak.srce.hr/196831 (Datum pristupa: 27.07.2021.)
Vancouver
Dewar MJS, Lo DH, Maksić ZB. Additivity of Bond Energies in the Light of the Maximum Overlap Approximation (MOA) and MIND0/3. Croatica Chemica Acta [Internet]. 1974 [pristupljeno 27.07.2021.];46(1):7-13. Dostupno na: https://hrcak.srce.hr/196831
IEEE
M.J.S. Dewar, D.H. Lo i Z.B. Maksić, "Additivity of Bond Energies in the Light of the Maximum Overlap Approximation (MOA) and MIND0/3", Croatica Chemica Acta, vol.46, br. 1, str. 7-13, 1974. [Online]. Dostupno na: https://hrcak.srce.hr/196831. [Citirano: 27.07.2021.]

Sažetak
Optimum parameters are determined for the use of the
maximum overlap approximation (MOA) to calculate heats of
atomization of a varied set of eleven hydrocarbons. The agreement
with experiment is generally good. The reasons for this success
are discussed in terms of an analysis by energy partitioning of
MIND0/3 calculations for the same hydrocarbons.

Hrčak ID: 196831

URI
https://hrcak.srce.hr/196831

Posjeta: 130 *