Benchmark structures and harmonic vibrational frequencies near the CCSD(T) complete basis set limit for small water clusters: (H2O)n = 2, 3, 4, 5, 6

Journal of Chemical Theory and Computation

Volumn 11, Issue 5, 2015, Pages 2126-2136

  Howard, J Coleman ^a   Tschumper, Gregory S ^a  

^a UNIVERSITY OF MISSISSIPPI   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

WATER;

CHEMICAL STRUCTURE; CHEMISTRY; HYDROGEN BOND; QUANTUM THEORY; THERMODYNAMICS;

HYDROGEN BONDING; MODELS, MOLECULAR; QUANTUM THEORY; THERMODYNAMICS; WATER;

EID: 84929222957     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/acs.jctc.5b00225     Document Type: Article

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