Structural isomerism and thermodynamic properties of the methylzinc alkoxide molecules (MeZnOR)n (R = Me, tBu) and Cations [(MeZnOMe)n]+ (n = 3, 4) studied by B3LYP and PCM calculations

Journal of Physical Chemistry A

Volumn 114, Issue 22, 2010, Pages 6370-6376

  Steudel, Yana ^a   Steudel, Ralf ^a  

^a TECHNISCHE UNIVERSITÄT BERLIN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; GASES; HYDROCARBONS; IONIZATION OF GASES; ISOMERS; MOLECULES; OXYGEN; POSITIVE IONS; QUANTUM CHEMISTRY; ROOFS; STEREOCHEMISTRY; THERMODYNAMIC PROPERTIES; ZINC; ZINC OXIDE;

ALKOXIDES; ATOMIC CHARGE; CARBON ATOMS; CLUSTER ISOMERS; DENSITY-FUNCTIONAL CALCULATIONS; DESTABILIZING EFFECT; ELECTRON IMPACT-IONIZATION; GASPHASE; INDUSTRIAL PROCESSS; INTERNUCLEAR DISTANCES; ISOLATED MOLECULES; JAHN TELLER DISTORTIONS; METHYL DERIVATIVES; METHYL GROUP; NANOSCALED; NON-HYDROGEN ATOMS; POLARIZABLE CONTINUUMS; STRUCTURAL ISOMERS; TERT-BUTYL GROUP; TETRAMERS; ZINC OXIDE PARTICLES; ZNO;

IMPACT IONIZATION;

EID: 84961976186     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp102214r     Document Type: Article

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