Working tools for theoretical chemistry: Polanyi, Eyring, and debates over the "semiempirical method"

Journal of Computational Chemistry

Volumn 28, Issue 1, 2007, Pages 98-108

  Nye, Mary Jo ^a  

^a OREGON STATE UNIVERSITY   (United States)

Author keywords

Absolute reaction rates; Chemical dynamics; Electron bond; Eugene Wigner; Fritz London; G. N. Lewis; Henry Eyring; Michael Polanyi; Quantum mechanics; Semiempirical method; Transition state

Indexed keywords

ABSOLUTE REACTION RATES; CHEMICAL DYNAMICS; SEMIEMPIRICAL METHOD; TRANSITION STATES;

ACTIVATION ENERGY; ELECTRON ENERGY LEVELS; ELECTRONS; POTENTIAL ENERGY; QUANTUM THEORY; REACTION KINETICS;

MOLECULAR DYNAMICS;

EID: 33846574707     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20527     Document Type: Article

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