Quantum chemical characterization of the structural and energetic properties of HCN-BF₃

Keyphrases

• Quantum Chemistry 100%
• Chemical Characterization 100%
• Dipole Moment 100%
• Structural Properties 100%
• Energetic Properties 100%
• Vibrational Frequencies 60%
• DFT Method 60%
• B3PW91 60%
• Binding Energy 40%
• QCISD 40%
• N-distance 40%
• Gas Phase 20%
• Density Functional 20%
• Angstrom 20%
• Equilibrium Value 20%
• Wave Function 20%
• MP2 Method 20%
• Experimental Values 20%
• Bond Length 20%
• Structural Information 20%
• Molecular Orbital Calculations 20%
• Schrödinger Equation 20%
• Bond Stretching 20%
• B3LYP 20%
• MPW1PW91 20%
• Value Function 20%
• Expectation Values 20%
• Vibrational Energy 20%
• Debye 20%
• Post-Hartree-Fock 20%
• Donor-acceptor Systems 20%
• Reasonable Structure 20%
• Local Mode 20%
• DFT Results 20%

Chemistry

• Structure 100%
• Density Functional Theory 100%
• Energetics 100%
• Dipole Moment 100%
• Møller-Plesset Perturbation Theory 60%
• Vibrational Frequency 60%
• QCISD 40%
• Binding Energy 40%
• Wave Function 20%
• Donor 20%
• Bond Length 20%
• DFT-B3LYP Calculation 20%
• Vibrational Energy 20%
• Molecular Orbital Method 20%

Physics

• Energetics 100%
• Density Functional Theory 100%
• Dipole Moment 100%
• Binding Energy 40%
• Wave Function 20%
• Vapor Phase 20%