Theoretical studies of host - Guest interaction in gas hydrates

Journal of Physical Chemistry A

Volumn 115, Issue 50, 2011, Pages 14276-14281

  Kumar, Pradeep ^a   Sathyamurthy, N ^a,b  

^a INDIAN INSTITUTE OF TECHNOLOGY KANPUR   (India)

^b INDIAN INSTITUTE OF SCIENCE EDUCATION AND RESEARCH MOHALI   (India)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; ATOMS-IN-MOLECULES; BASIS SETS; COMPLETE BASIS SET LIMIT; GEOMETRY OPTIMIZATION; GUEST SPECIES; INTERACTION ENERGIES; MP2/6-31G; OPTIMIZED GEOMETRIES; PERTURBATION METHOD; POLYATOMICS; SECOND ORDERS; SINGLE-POINT ENERGY; THEORETICAL STUDY; WATER CAGE;

CALCULATIONS; CARBON DIOXIDE; KRYPTON; NEON; OPTIMIZATION; PERTURBATION TECHNIQUES; XENON;

GAS HYDRATES;

EID: 84055200898     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp2089565     Document Type: Article

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