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A quantum electronic theory of chemical processes - The inverted energy profile case: CH3++H-2 reaction
Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Physical Chemistry.
Uppsala University.
Uppsala University.
1997 (English)In: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, ISSN 0020-7608, Vol. 63, no 2, 373-391 p.Article in journal (Refereed) Published
Abstract [en]

A quantum approach to chemical processes is developed. The chemical interconversion is described as an electronic process. The reaction corresponds to histories involving quantum states belonging to different stationary molecular Hamiltonians. The system

Place, publisher, year, edition, pages
JOHN WILEY & SONS INC , 1997. Vol. 63, no 2, 373-391 p.
Keyword [en]
TRANSITION-STATE; RADIATIVE ASSOCIATION; POLYATOMIC-MOLECULES; CATALYTIC MECHANISM; DEUTERATED ANALOGS; NUCLEAR DYNAMICS; PROTON-TRANSFER; CH5+; H-2; RELAXATION
Identifiers
URN: urn:nbn:se:uu:diva-73479OAI: oai:DiVA.org:uu-73479DiVA: diva2:101389
Note
Addresses: Tapia O, UNIV UPPSALA, DEPT PHYS CHEM, BOX 532, S-75121 UPPSALA, SWEDEN. UNIV JAUME I, DEPT CIENCIAS EXPT, CASTELLO DE PLANA 12080, SPAIN.Available from: 2008-10-17 Created: 2008-10-17

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