Microsolvation of thiosulfuric acid and its tautomeric anions [HSSO 3]- and [SSO2(OH)]- studied by B3LYP-PCM and G3X(MP2) calculations

Journal of Physical Chemistry A

Volumn 113, Issue 36, 2009, Pages 9920-9933

  Steudel, Ralf ^a   Steudel, Yana ^a  

^a TECHNISCHE UNIVERSITÄT BERLIN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ACIDS; DIELECTRIC PROPERTIES; ENTHALPY; HYDRATION; HYDROGEN SULFIDE; IONS; MOLECULES; SANITARY SEWERS; SULFUR; SYNTHESIS (CHEMICAL);

ACID DECOMPOSITION; AQUEOUS SOLUTIONS; B3LYP/6-31G; DECOMPOSITION REACTION; DENSITY FUNCTIONALS; DIHYDRATES; EQUILIBRIUM MIXTURES; GASEOUS SPECIES; GASPHASE; GIBBS ENERGY; HIGH-LEVEL AB INITIO CALCULATIONS; HYDRATION ENTHALPY; MICROSOLVATION; MINIMUM STRUCTURES; MONOANIONS; POLARIZABLE CONTINUUMS; SINGLE-POINT CALCULATIONS; SULFUR BACTERIA; SULFUR MOLECULE; SULFUR TRANSFER; SULFUR TRANSFER REACTIONS; THIOSULFATE IONS; THIOSULFURIC ACID; WATER MOLECULE;

GASES;

EID: 84961980500     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp905264c     Document Type: Article

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