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Can I read Bond Orders in Heteroaromatic Rings\* on EtoBox?
Bond Orders in Heteroaromatic Rings\* by Robert J. Doerksen; Ajit J. Thakkar is a Physics and Astronomy article available to read on EtoBox.
What is Bond Orders in Heteroaromatic Rings\* about?
## Abstract Bond orders are calculated at the Hartree–Fock and second‐order, Møller–Plesset (MP2) level for 324 distinct ring bonds in 60 heterocyclic molecules. These include benzene and 12 azines, pyrrole and 9 azoles, furan and 9 oxazoles, thiophene and 8 thiazoles, boroxine, trioxadiborole, borazine and 9 azaborinines, 3 azaboroles, and 3 oxazaboroles. The correlated bond orders are generally, but not always, smaller than their Hartree–Fock counterparts. Gordy bond orders differ from the ab initio ones by large amounts. A plot of MP2 bond orders versus bond lengths shows clearly that an empirical Gordy‐type relationship cannot be very accurate. Some trends in bond orders are identified. © 2002 John Wiley & Sons, Inc. Int J Quantum Chem, 2002
Who reads Bond Orders in Heteroaromatic Rings\*?
It is typically read by researchers, students, and practitioners in Physics and Astronomy.
- Author
- Robert J. Doerksen; Ajit J. Thakkar
- Publisher
- John Wiley and Sons; Wiley (John Wiley & Sons); John Wiley & Sons Inc.; Wiley (ISSN 0020-7608)
- Published
- 2002
- Language
- EN
- Field
- Physics and Astronomy (Physical Sciences)