Separation of quantum and classical behavior in proton transfer reactions: Implications from studies of secondary kinetic isotope effects

International Journal of Quantum Chemistry

Volumn 91, Issue 3 SPEC, 2003, Pages 404-413

  Iftimie, Radu ^a   Schofield, Jeremy ^a  

^a UNIVERSITY OF TORONTO   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; COMPUTER SIMULATION; DEGREES OF FREEDOM (MECHANICS); ELECTRON TUNNELING; ISOTOPES; MOLECULAR DYNAMICS; MONTE CARLO METHODS; POTENTIAL ENERGY; QUANTUM THEORY; REACTION KINETICS;

CHEMICAL TOPOLOGY; HEAVY ATOM TUNNELING EFFECTS; MALONALDEHYDE; PROTON TRANSFER REACTIONS; QUANTUM CENTROID TRANSITION STATE; SECONDARY KINETIC ISOTOPE EFFECTS;

PROTONS;

EID: 0037454908     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10392     Document Type: Article

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