Computational studies on the cyclization of enediynes, enyne-allenes, and related polyunsaturated systems
Article Abstract:
Quantum chemical studies of cyclization of enediynes and enyneallenes have proven to be computationally tractable as a result of the unrestricted broken spin symmetry approach. This has made comprehensive computational studies on substituent effects and heterosubstituted systems possible.
Publisher: American Chemical Society
Publication Name: Accounts of Chemical Research
Subject: Science and technology
ISSN: 0001-4842
Year: 2005
Quantum chemistry, Ring formation (Chemistry), Cyclization (Chemistry), Computational chemistry
Publication Name: Accounts of Chemical Research
Subject: Science and technology
ISSN: 0001-4842
Year: 2005
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Unequivocal SRN1 route of Vinyl Halides with a multitude of competing pathways: reactivity and structure of the Vinyl Radical intermediate
Article Abstract:
Unambiguous examples of the vinylic SRN1 reaction pathways are described through a systematic modification of the structure of VyX substrate. The geometry of the Vy. and kinetic parameters, for H-abstraction and coupling with Y- are documented.
Publisher: American Chemical Society
Publication Name: Accounts of Chemical Research
Subject: Science and technology
ISSN: 0001-4842
Year: 2003
Industrial Organic Chemicals, Cyclic Crude and Intermediate Manufacturing, Alkynes, Composition, Vinyl compounds
Publication Name: Accounts of Chemical Research
Subject: Science and technology
ISSN: 0001-4842
Year: 2003
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Subjects list: Research
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