Importance of vibrational zero-point energy contribution to the relative polymorph energies of hydrogen-bonded species

Keyphrases

• Energy Contribution 100%
• Zero-point Energy 100%
• Enthalpy Difference 60%
• Vibrational Contributions 40%
• Glycine 40%
• Lattice Energy 40%
• Population Differences 20%
• Stretching Frequencies 20%
• Energy Difference 20%
• Periodic Lattices 20%
• Lattice Density Functional Theory 20%
• Zero Point 20%
• Energy Concentrate 20%
• Point Correction 20%
• Two-crystal 20%
• Polymorphic Crystal 20%
• Thermal Population 20%
• Conceptual Problems 20%

Chemistry

• Zero-Point Vibrational Energy 100%
• Crystal Energy 50%
• Zero Point Energy 50%
• Crystal Morphology 25%