An ab initio molecular orbital study of the conformational energies of 2-alkyltetrahydro-2H-pyrans (tetrahydropyrans, oxacyclohexanes, oxanes)

Keyphrases

• 2-substituted 33%
• 2H-pyrans 100%
• Ab Initio Hartree-Fock 16%
• Ab Initio Molecular Orbital 100%
• Chair Conformation 16%
• Conformational Energy 100%
• Density Functional Calculations 16%
• Molecular Orbital Calculations 100%
• N-butylcyclohexane 33%
• Relative Energy 16%
• Rotamers 16%
• Tetrahydropyran 100%
• Tetrahydrothiopyran 33%
• Thiane 33%
• Trimethylsilyl 33%

Chemistry

• 2H-Pyran 100%
• Density Functional Theory 16%
• Molecular Orbital 100%
• Møller-Plesset Perturbation Theory 16%
• Rotamer 16%
• Tetrahydropyran 100%