Ab initio intermolecular potential energy surfaces of the water-rare gas atom complexes

Journal of Chemical Physics

Volumn 129, Issue 18, 2008, Pages

  Makarewicz, Jan ^a  

^a ADAM MICKIEWICZ UNIVERSITY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC PHYSICS; ATOMS; FLOW INTERACTIONS; HELIUM; INERT GASES; KETONES; KRYPTON; NEON; NUCLEAR PHYSICS; PETROLEUM REFINING; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

AB INITIO; AB INITIO ENERGIES; BASIS SETS; BOND FUNCTIONS; CCSD; COMPLETE BASIS SETS; CORE CORRELATIONS; COUPLED CLUSTERS; EQUILIBRIUM STRUCTURES; EXPERIMENTAL DATUMS; INTERACTION ENERGIES; INTERMOLECULAR POTENTIAL ENERGY SURFACES; POINT INTERACTIONS; POTENTIAL BARRIERS; RARE GASSES; SADDLE POINTS; STATIONARY POINTS; SUPERMOLECULE; WATER MOLECULES;

POTENTIAL ENERGY;

INERT GAS; WATER;

ARTICLE; CHEMISTRY; HYDROGEN BOND; QUANTUM THEORY; REPRODUCIBILITY; SENSITIVITY AND SPECIFICITY; THERMODYNAMICS;

HYDROGEN BONDING; NOBLE GASES; QUANTUM THEORY; REPRODUCIBILITY OF RESULTS; SENSITIVITY AND SPECIFICITY; THERMODYNAMICS; WATER;

EID: 56349084174     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3009270     Document Type: Article

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