Calculation of isotope effects from first principles

Biochimica et Biophysica Acta - Bioenergetics

Volumn 1458, Issue 1, 2000, Pages 28-42

  Scheiner, Steve ^a  

^a SOUTHERN ILLINOIS UNIVERSITY   (United States)

Author keywords

Hydrogen bond; Molecular dynamics; Proton transfer; Reaction path; Transition state theory; Tunneling

Indexed keywords

DEUTERIUM; DIMER; HYDROGEN; ISOTOPE; WATER;

CALCULATION; CHEMICAL REACTION; ENERGY; HYDROGEN BOND; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTON TRANSPORT; REVIEW; TEMPERATURE; THEORY;

DEUTERIUM; ENERGY METABOLISM; HYDROGEN; HYDROGEN BONDING; ISOTOPES; KINETICS; MODELS, THEORETICAL; PROTON-MOTIVE FORCE; PROTONS; TEMPERATURE; WATER;

PROTIUM;

EID: 0034640464     PISSN: 00052728     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0005-2728(00)00058-X     Document Type: Review

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