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A quantum electronic theory of chemical processes - The inverted energy profile case: CH3++H-2 reaction
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- Tapia, O (author)
- Uppsala universitet,Fysikalisk-kemiska institutionen
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- Moliner, V (author)
- Uppsala universitet
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- Andres, J (author)
- Uppsala universitet
- (creator_code:org_t)
- JOHN WILEY & SONS INC, 1997
- 1997
- English.
- In: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. - : JOHN WILEY & SONS INC. - 0020-7608. ; 63:2, s. 373-391
- Journal article (peer-reviewed)
Abstract
Subject headings
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- 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
Keyword
- TRANSITION-STATE; RADIATIVE ASSOCIATION; POLYATOMIC-MOLECULES; CATALYTIC MECHANISM; DEUTERATED ANALOGS; NUCLEAR DYNAMICS; PROTON-TRANSFER; CH5+; H-2; RELAXATION
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- ref (subject category)
- art (subject category)
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