A new nonsymmetric As(OH)3 species. Comparison with the known C3 species and themochemistry at the HF, DFT(B3LYP), MP2, MP4, and CCSD(T) levels of theory

Journal of Physical Chemistry A

Volumn 110, Issue 24, 2006, Pages 7637-7641

  Ramírez Solís, Alejandro ^a   Hernández Cobos, Jorge ^b   Vargas, Cristina ^c  

^a UNIVERSIDAD AUTÓNOMA DEL ESTADO DE MORELOS   (Mexico)

^b INSTITUTO DE CIENCIAS FÍSICAS   (Mexico)

^c DEPARTAMENTO DE FÍSICA APLICADA   (Mexico)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION METHODS; ISOMERS; PHASE TRANSITIONS; PROBABILITY DENSITY FUNCTION; THERMOANALYSIS;

DENSITY FUNCTIONAL THEORY; TRANSITION STATE (TS); ZERO POINT ENERGY (ZPE);

ARSENIC COMPOUNDS;

ARSENIC; WATER;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; ISOMERISM;

ARSENIC; ISOMERISM; MODELS, CHEMICAL; MOLECULAR STRUCTURE; WATER;

EID: 33745780523     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0601365     Document Type: Article

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