Anharmonic semiclassical variational transition-state theory rate constant model for H atom association with different sites on the diamond {111} surface

Journal of Physical Chemistry A

Volumn 105, Issue 11, 2001, Pages 2453-2457

  Song, Kihyung ^a   Hase, William L ^b  

^a Korea National University of Education   (South Korea)

^b WAYNE STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CANONICAL VARIATIONAL TRANSITION-STATE THEORY (CVTST);

ASSOCIATION REACTIONS; DIAMOND FILMS; EIGENVALUES AND EIGENFUNCTIONS; FREE ENERGY; HAMILTONIANS; HARMONIC ANALYSIS; HYDROGEN; RATE CONSTANTS; STATISTICAL METHODS; VARIATIONAL TECHNIQUES;

SURFACE CHEMISTRY;

EID: 0035932701     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp003826w     Document Type: Article

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