Direct quantum mechanical/molecular mechanical simulations of two-dimensional vibrational responses: N-methylacetamide in water

Keyphrases

• Mechanical Simulation 100%
• Vibrational Anharmonicity 40%
• Two-dimensional Infrared Spectroscopy 40%
• Nonlinear Signal 20%
• Vertical Splitting 20%
• Classical Limit 20%
• Infrared Signal 20%
• Stability Matrix 20%
• Commutator 20%
• Computational Algorithm 20%
• Poisson Bracket 20%
• Matrix Formalism 20%

Chemistry

• Two-Dimensional Infrared Spectroscopy 66%
• Calculation Algorithm 33%