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SPIN-ORBIT-COUPLING IN THE INTERSYSTEM CROSSING OF THE RING-OPENED OXIRANE BIRADICAL
Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Quantum Chemistry.
1995 (English)In: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, ISSN 0020-7608, Vol. 55, no 1, 23-34 p.Article in journal (Other scientific) Published
Abstract [en]

The intersystem crossing (Isc) between the lowest triplet and singlet states occurring in the reaction of atomic oxygen with ethylene was studied. The importance of spin-orbit coupling (sec) in oxirane biradicals (CR'R ''-CRR*-O) is stressed through calcu

Place, publisher, year, edition, pages
1995. Vol. 55, no 1, 23-34 p.
Keyword [en]
ATOMIC OXYGEN O(P-3); MOLECULAR-BEAM; WAVE-FUNCTIONS; ETHYLENE; OLEFINS; O(3P)+C2H4; THRESHOLD
Identifiers
URN: urn:nbn:se:uu:diva-40904OAI: oai:DiVA.org:uu-40904DiVA: diva2:68805
Note
KNUTS S, UNIV UPPSALA, DEPT QUANTUM CHEM, POB 518, S-75120 UPPSALA, SWEDEN. CHERKASSY ENGN & TECHNOL INST, DEPT CHEM, CHEBOKSARY 257006, RUSSIA. LINKOPING UNIV, INST PHYS & MEASUREMENT TECHNOL, S-58183 LINKOPING, SWEDEN.Available from: 2008-10-17 Created: 2008-10-17 Last updated: 2011-01-16

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