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

Subjects

Subjects :

Density functionals -- Usage
Methyl groups -- Chemical properties
Methyl groups -- Structure
Methyl groups -- Thermal properties
Potential energy -- Evaluation
Substitution reactions -- Analysis
Tertiary butyl compounds -- Chemical properties
Tertiary butyl compounds -- Thermal properties
Zinc -- Chemical properties
Zinc -- Thermal properties
Chemicals, plastics and rubber industries

Details

Language :

English

ISSN :

10895639

Volume :

114

Issue :

22

Database :

Gale General OneFile

Journal :

Journal of Physical Chemistry A

Publication Type :

Academic Journal

Accession number :

edsgcl.230195207