Semiclassical theory for non-separable systems: construction of ''good'' action-angle variables for reaction rate constants

Conference · Thu Apr 01 00:00:00 EST 1976

OSTI ID:7356858

Miller, W H

A semiclassical expression for bimolecular rate constants for reactions which have a single activation barrier is obtained in terms of the ''good'' action variables of the (classical) Hamiltonian that are associated with the saddle point region of the potential energy surface. The formulae apply to nonseparable as well as separable saddle points.

• Research Organization: California Univ., Berkeley (USA). Lawrence Berkeley Lab.
• DOE Contract Number: W-7405-ENG-48
• OSTI ID: 7356858
• Report Number(s): LBL-4991; CONF-760901-3
• Resource Relation: Conference: Faraday discussion on potential energy surfaces, Brighton, UK, 8 Sep 1976
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
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PHYSICAL AND ANALYTICAL CHEMISTRY
74 ATOMIC AND MOLECULAR PHYSICS
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MOLECULES
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REACTION KINETICS
400201* - Chemical & Physicochemical Properties
640304 - Atomic
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