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ON A QUANTUM-THEORY OF CHEMICAL-REACTIONS AND THE ROLE OF IN VACUUM TRANSITION STRUCTURES - PRIMARY AND SECONDARY SOURCES OF ENZYME CATALYSIS
Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Physical Chemistry.
Uppsala University.
1995 (English)In: THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, ISSN 0166-1280, Vol. 335, 267-286 p.Article in journal (Other academic) Published
Abstract [en]

A general theoretical framework describing chemical reactions is presented. It is based on quantum mechanical concepts and a proper definition of an interconversion coordinate using elliptic coordinates. The quantum theory is integrated with general kinet

Place, publisher, year, edition, pages
ELSEVIER SCIENCE BV , 1995. Vol. 335, 267-286 p.
Keyword [en]
LIVER ALCOHOL-DEHYDROGENASE; S(N)1 IONIC DISSOCIATION; RHF-SCF-MO; THEORETICAL-MODEL; ORGANIC-SOLVENTS; HYDRIDE-TRANSFER; STATE THEORY; ACTIVE-SITE; GLUTATHIONE-REDUCTASE; RENIN INHIBITORS
Identifiers
URN: urn:nbn:se:uu:diva-76576OAI: oai:DiVA.org:uu-76576DiVA: diva2:104488
Note
Addresses: TAPIA O, UNIV UPPSALA, DEPT PHYS CHEM, BOX 532, S-75121 UPPSALA, SWEDEN. UNIV JAUME 1, DEPT EXPTL SCI, E-12080 CASTELLO, SPAIN.Available from: 2008-10-17 Created: 2008-10-17

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