Systematic study of structural and thermodynamic properties of HCl(H 2O)n clusters from semiempirical replica exchange simulations

Journal of Physical Chemistry A

Volumn 117, Issue 32, 2013, Pages 7131-7141

  Lin, Wei ^a   Paesani, Francesco ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

MELTING BEHAVIOR; MINIMUM-ENERGY STRUCTURES; RELATIVE STABILITIES; REPLICA EXCHANGE SIMULATION; REPLICA-EXCHANGE MOLECULAR DYNAMICS SIMULATIONS; SEMIEMPIRICAL HAMILTONIANS; SYSTEMATIC STUDY; TEMPERATURE RANGE;

MELTING; MOLECULAR DYNAMICS; THERMODYNAMIC PROPERTIES;

ISOMERS;

EID: 84882337122     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp400629t     Document Type: Article

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