Computational modeling of oxygen isotope effects on metal-mediated O 2 activation at varying temperatures

Journal of Physical Chemistry A

Volumn 113, Issue 10, 2009, Pages 1934-1945

  Smirnov, Valeriy V ^b   Land, Michael P ^c   Roth, Justine P ^a  

^a JOHNS HOPKINS UNIVERSITY   (United States)

^b UNIVERSITY OF MONTANA   (United States)

^c UNIVERSITY OF WASHINGTON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL MODELING; CUT OFFS; EMPIRICAL RESULTS; ENTROPIC EFFECTS; EXPERIMENTAL EVIDENCES; FORCE CONSTANTS; FREQUENCY MODELS; ISOTOPE EFFECTS; METAL CENTERS; NATURAL ABUNDANCES; NON-LINEAR VARIATIONS; OXYGEN ISOTOPE EFFECTS; REVERSIBLE BINDINGS; SMALL MOLECULES; SUPEROXIDE; VARYING TEMPERATURES; VIBRATIONAL FREQUENCIES; VIBRATIONAL MODES; ZERO-POINT ENERGIES;

CARRIER MOBILITY; INORGANIC COMPOUNDS; ISOTOPES; OXYGEN;

STRUCTURAL METALS;

METAL; ORGANOMETALLIC COMPOUND; OXYGEN; PEROXIDE; SUPEROXIDE;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; KINETICS; TEMPERATURE; THERMODYNAMICS; VIBRATION;

KINETICS; METALS; MODELS, CHEMICAL; MOLECULAR STRUCTURE; ORGANOMETALLIC COMPOUNDS; OXYGEN; OXYGEN ISOTOPES; PEROXIDES; SUPEROXIDES; TEMPERATURE; THERMODYNAMICS; VIBRATION;

EID: 63849131526     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp807796c     Document Type: Article

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