Solvent influence on the rotational isomerism in terephthalaldehyde

Keyphrases

• Terephthalaldehyde 100%
• Rotational Barrier 33%
• Force Field 33%
• Orientation of Molecules 33%
• DFT Theory 33%
• Triple zeta 33%
• Cis-isomer 33%
• Semiempirical PM3 Method 33%
• Barrier Stability 33%
• Dielectric Medium 33%
• Continuum Dielectric 33%
• Media Models 33%
• Phase Modeling 33%

Chemical Engineering

• Gibbs Free Energy 100%

Chemistry

• Cis Isomer 50%
• Rotational Barrier 50%