The Electronic Structure of Cyclooctatetraene and the Modern Valence

"valence isomers" of cyclooctatetraene

a major sport of organic chemists in the past decade or two (1). ... the letter of interest sits above the line it labels, and the âreaction" will read from left ... ture (the exceptions: bicycIo[4.2.0]octa-2,4,7-triene and tri- ... Soc., 98,4311 (

Modern Valence Bond Description of the Electronic Mechanisms of

Jan 8, 2004 - Series of ab initio modern valence bond calculations, based on spin-coupled (SC) theory, along the. MP2(fc)/6-31G(d,p) minimum-energy paths, are used to examine the electronic rearrangements that take place during the gas-phase SN2 iden


Nov 30, 2003 - Chemistry, UniVersity of LiVerpool, LiVerpool L69 7ZD, U.K. ... MP2(fc)/6-31G(d,p) minimum-energy paths, are used to examine the electronic ...


The description of the transition state for the corresponding gas-phase SN2 identity reaction of (CH3)3CCl is found to be radically different: it is held together by ...


Jan 8, 2004 - Series of ab initio modern valence bond calculations, based on spin-coupled (SC) theory, along the MP2(fc)/6-31G(d,p) minimum-energy paths, are used to examine the electronic rearrangements that take place during the gas-phase SN2 ident

Viewing the Valence Electronic Structure of Ferric and Ferrous

Jul 5, 2016 - Phone: +1-650-926-3906., *E-mail: [email protected]. Phone: +49 30 8062-13448. Cite this:J. Phys. Chem. B 120, 29, 7182-7194 ...

The Electronic Structure of Inorganic Benzenes: Valence Bond and

Debye Institute, Theoretical Chemistry Group, Utrecht University, Padualaan 8, 3584 CH Utrecht, The Netherlands, Debye Institute, Organic Chemistry and ...

The Electronic Structure of Inorganic Benzenes: Valence Bond and

23 Jun 2005 - It is shown that the homonuclear compounds possess benzene-like character, with resonance between two KekulÃ©-like structures and induced ...

The Molecular Structure of the Complex of Cyclooctatetraene and Iron

DOI: 10.1021/ja00965a065. Publication Date: July 1966. ACS Legacy Archive. Cite this:J. Am. Chem. Soc. 1966, 88, 13, 3158-3159. Note: In lieu of an abstract, ...

Valence Tautomerism in Cyclooctatetraene-Iron Tricarbonyl - Journal

A. Carbonaro , A. L. Segre , A. Greco , C. Tosi , G. Dall'Asta. Journal of the American ... Michael John Bennett , F. Albert Cotton , Josef Takats. Journal of the ...

The Electronic Structure of Cyclooctatetraene and the Modern Valence

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