Temperature scaling method for Markov chains

Journal of Physical Chemistry A

Volumn 113, Issue 3, 2009, Pages 607-616

  Crosby, Lonnie D ^a   Windus, Theresa L ^a  

^a IOWA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB-INITIO; COMPUTATIONAL EXPENSE; DYNAMICAL NUCLEATION THEORIES; ENERGY DETERMINATIONS; EVAPORATION RATES; EXACT SOLUTIONS; KINETIC PROPERTIES; MARKOV CHAINS; MONTE CARLO; MONTE CARLO SIMULATIONS; NUCLEATION KINETICS; QUALITY OF RESULTS; STATISTICAL PROPERTIES; TEMPERATURE DEPENDENCES; TEMPERATURE SCALING; WATER CLUSTERS;

MONOMERS; MONTE CARLO METHODS; NUCLEATION; RATE CONSTANTS;

MARKOV PROCESSES;

EID: 63449132021     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp805688j     Document Type: Article

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27. Crosby, L. D.; Windus, T. L., future work to be published. The parameters used to distinguish hydrogen bonding interactions in the structure of configurations were determined through MC simulations of the water trimer. A future publication will provide more detail in the results of these simulations.