On the calculation of the dissociation rate constant of the water dimer by the ab initio anharmonic RRKM theory

Chemical Physics Letters

Volumn 470, Issue 4-6, 2009, Pages 210-214

  Yao, L ^a,b,c   He, R X ^d   Mebel, A M ^e   Lin, S H ^b,c  

^a DALIAN MARITIME UNIVERSITY   (China)

^b INSTITUTE OF ATOMIC AND MOLECULAR SCIENCES   (Taiwan)

^c NATIONAL CHIAO TUNG UNIVERSITY   (Taiwan)

^d SOUTHWEST UNIVERSITY   (China)

^e FLORIDA INTERNATIONAL UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATION;

AB-INITIO; ANHARMONIC; ANHARMONIC EFFECTS; DISSOCIATION RATE CONSTANTS; DIVIDING SURFACES; RRKM THEORIES; TEMPERATURE RANGES; TOTAL ENERGIES; TRANSITION STATE; WATER CLUSTERS; WATER DIMERS;

RATE CONSTANTS;

EID: 60949112728     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2009.01.074     Document Type: Article

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