Formation of the Vilsmeier-Haack complex: the performance of different levels of theory

Chemistry

• Procedure 100%
• Møller-Plesset Perturbation Theory 66%
• DFT-B3LYP Calculation 33%
• Concentration 33%
• Density 33%
• Chemical Reaction 33%
• Basis Set 33%

INIS

• comparative evaluations 66%
• experimental data 66%
• levels 33%
• investigations 33%
• extrapolation 33%
• performance 33%
• barriers 33%
• density functional method 33%