Approximate Quantum Dynamics using Ab Initio Classical Separable Potentials: Spectroscopic Applications

Engineering & Materials Science

• Wave functions 100%
• Molecular dynamics 81%
• Peptides 47%
• Linewidth 45%
• Amino acids 43%
• Degrees of freedom (mechanics) 40%
• Computer simulation 39%
• Stretching 38%
• Molecules 35%
• Hydrogen 28%
• Experiments 12%

Chemistry

• Nuclear Wave Function 78%
• Molecular Dynamics 53%
• Simulation 45%
• Wave Function 42%
• Nucleobase 39%
• Calculation Method 38%
• Application 22%
• Peptide 20%
• Hydrogen 18%
• Time 12%
• Acid 12%
• Molecule 12%

Physics & Astronomy

• potential fields 41%
• wave functions 28%
• molecular dynamics 26%
• guanines 25%
• amino acids 20%
• peptides 19%
• line shape 17%
• vibration mode 16%
• degrees of freedom 14%
• simulation 13%
• nuclei 11%
• hydrogen 11%
• molecules 9%