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Set of molecular models based on quantum mechanical ab initio calculations and thermodynamic data
- Source :
- Journal of Physical Chemistry B. Oct 9, 2008, Vol. 112 Issue 40, 12710-12721
- Publication Year :
- 2008
- Subjects :
- Acetonitrile -- Structure
Acetonitrile -- Chemical properties
Acetonitrile -- Thermal properties
Cyclohexane -- Structure
Cyclohexane -- Chemical properties
Cyclohexane -- Thermal properties
Density functionals -- Usage
Electrostatic interactions -- Analysis
Quantum theory -- Analysis
Thermodynamics -- Research
Chemicals, plastics and rubber industries
Subjects
Details
- Language :
- English
- ISSN :
- 15206106
- Volume :
- 112
- Issue :
- 40
- Database :
- Gale General OneFile
- Journal :
- Journal of Physical Chemistry B
- Publication Type :
- Academic Journal
- Accession number :
- edsgcl.189043486