B-N distance potential of CH₃CN-BF₃ revisited: Resolving the experiment-theory structure discrepancy and modeling the effects of low-dielectric environments

Keyphrases

• Acetonitrile 100%
• Dielectric Environment 100%
• N-distance 100%
• Low Dielectric 100%
• Theory Structure 100%
• Gas Phase 40%
• Dielectric Constant 40%
• Aug-cc-pVTZ 40%
• Structural Change 20%
• Vibrational Motion 20%
• Equilibrium Value 20%
• Wave Function 20%
• Solvation Free Energy 20%
• Schrödinger Equation 20%
• Large Amplitude 20%
• Inner Region 20%
• Structural Results 20%
• QCISD 20%
• Matrix Isolation 20%
• Dielectric Medium 20%
• Nuclear Motion 20%
• Vibrational Energy 20%
• E-value 20%
• BF 3 20%

Chemistry

• Dielectric Material 100%
• Møller-Plesset Perturbation Theory 100%
• Dielectric Constant 100%
• Permittivity 100%
• Solvation 50%
• Matrix Isolation 50%
• Vibrational Energy 50%
• QCISD 50%
• Wave Function 50%
• Density Functional Theory 50%
• Free Energy 50%