Studies on the structure, stability, and spectral signatures of hydride ion-water clusters

Journal of Chemical Physics

Volumn 135, Issue 21, 2011, Pages

  Prakash, M ^a   Gopalsamy, K ^a   Subramanian, V ^a  

^a CENTRAL LEATHER RESEARCH INSTITUTE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS IN MOLECULES; BADER THEORY; BASIS SETS; CCSD; COMPLETE BASIS SETS; COUPLED CLUSTERS; FUNCTIONALS; GAS-PHASE STRUCTURES; GEOMETRICAL PARAMETERS; ION-WATER CLUSTERS; ION-WATER INTERACTIONS; NATURAL BOND ORBITAL ANALYSIS; RED SHIFT; SECOND ORDERS; SPECTRAL SIGNATURE; STABLE CLUSTERS; STRETCHING FREQUENCY; STRUCTURAL MOTIFS; VARIOUS DENSITIES; WATER MOLECULE; WATER-WATER;

CHEMICAL BONDS; ELECTRIC CIRCUIT BREAKERS; HYDRIDES; IONS; MOLECULES; PHASE STABILITY;

DENSITY FUNCTIONAL THEORY;

HYDROGEN; ION; TUNGSTEN; WATER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; HYDROGEN BOND; SPECTROSCOPY; THERMODYNAMICS;

COMPUTER SIMULATION; HYDROGEN; HYDROGEN BONDING; IONS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; SPECTRUM ANALYSIS; THERMODYNAMICS; TUNGSTEN; WATER;

EID: 83455243352     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3663708     Document Type: Article

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