Correlations between ab initio and experimental data for isolated 1:1 hydrogen-bonded complexes of pyridine and imidazole derivatives with water

Chemistry

• Imidazole 100%
• Hydrogen 100%
• Ab Initio Calculation 33%
• Dipole Moment 33%
• IR Absorption 33%
• Proton Affinity 33%

Material Science

• Ab Initio Calculation 100%

Keyphrases

• Absorption Intensity 33%
• Charge Difference 33%
• Mulliken Population Analysis 33%