Quantum dynamics of small H2 and D2 clusters in the large cage of structure II clathrate hydrate: Energetics, occupancy, and vibrationally averaged cluster structures

Journal of Chemical Physics

Volumn 129, Issue 24, 2008, Pages

  Sebastianelli, Francesco ^a   Xu, Minzhong ^a   Bačić, Zlatko ^a  

^a NEW YORK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DYNAMICS; EVOLUTIONARY ALGORITHMS; HYDRATION; MOLECULES; QUANTUM THEORY; SIZE DISTRIBUTION;

CLATHRATE HYDRATES; CLUSTER SIZES; CLUSTER STRUCTURES; LOW TEMPERATURES; MAIN FACTORS; MEAN DISTANCES; MONTE CARLO; NANOCONFINEMENT; POINT ENERGIES; POTENTIAL WELLS; QUANTITATIVE DESCRIPTIONS; QUANTUM DYNAMICS; SIZE EVOLUTIONS; SPATIAL DISTRIBUTION OF; SPECIFIC ORIENTATIONS;

HYDRATES;

EID: 58149229328     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3049781     Document Type: Article

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