Structures and heats of formation of simple alkali metal compounds: Hydrides, chlorides, fluorides, hydroxides, and Oxides for Li, Na, and K

Journal of Physical Chemistry A

Volumn 114, Issue 12, 2010, Pages 4272-4281

  Vasiliu, Monica ^a   Li, Shenggang ^a   Peterson, Kirk A ^b   Feller, David ^b   Gole, James L ^c   Dixon, David A ^a  

^a UNIVERSITY OF ALABAMA   (United States)

^b WASHINGTON STATE UNIVERSITY   (United States)

^c GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATMOSPHERIC SIMULATIONS; ATOMIC SPIN; BASIS SETS; BOND DISSOCIATION ENERGIES; CCSD CALCULATIONS; CORE-VALENCE CORRELATION; COUPLED-CLUSTER THEORY; EXPERIMENTAL DATA; EXPERIMENTAL MEASUREMENTS; GEOMETRY PARAMETER; HEATS OF FORMATION; HIGH QUALITY; QUADRUPLE EXCITATIONS; SCALAR-RELATIVISTIC EFFECTS; THERMODYNAMIC DATA; ZERO-POINT ENERGIES;

CHLORINE COMPOUNDS; DISSOCIATION; FLUORINE COMPOUNDS; HYDRIDES; LITHIUM; OXIDES; SODIUM;

LITHIUM COMPOUNDS;

EID: 77950191131     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp911735c     Document Type: Article

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