Computational vibrational spectroscopy of peptides and proteins in one and two dimensions

Keyphrases

• Two Dimensional 100%
• Virtual Vibrational Spectrometry 100%
• Electronic Structure Calculations 75%
• Chromophore 50%
• Transition Moments 50%
• Computational Methods 50%
• Response Function 50%
• Vibrational Spectroscopy 50%
• Mode Coupling 25%
• Biomolecules 25%
• Solute 25%
• Polypeptide 25%
• Molecular Dynamics Simulation 25%
• Quantum Mechanical 25%
• Biological Systems 25%
• Molecular Motion 25%
• Mechanical Force 25%
• Force Field 25%
• Classical Force Field 25%
• Molecular Dynamics Trajectories 25%
• Transition Frequency 25%
• Hybrid Method 25%
• Band Broadening 25%
• Vibrational Response 25%
• Linear Response 25%
• Accurate Calculation 25%
• Vibrational Spectra 25%
• Classical Molecular Dynamics Simulations 25%
• Ultrafast Dynamics 25%
• Frequency Mode 25%
• Local Environment 25%
• Vibrational Properties 25%
• Hessian Matrix 25%
• Matrix Reconstruction 25%
• System Size 25%
• Chemical System 25%
• Experimental Spectra 25%
• Transition Energy 25%
• Polarization Effect 25%
• Nonlinear Response 25%
• Mode Transition 25%
• Multichromophoric Systems 25%
• Normal Mode Frequencies 25%
• Condensed Phase 25%
• Local Mode 25%
• Molecular Dynamics Method 25%
• Chemical Accuracy 25%
• Vibrational Anharmonicity 25%
• Classical Limit 25%
• Vibronic Transitions 25%
• Complex Molecules 25%
• Reconstruction Scheme 25%
• Hybrid Electronics 25%
• Distributed multipole Analysis 25%
• Anharmonic Oscillator 25%
• Solvent Environment 25%
• Linear Spectroscopy 25%
• Spectroscopic Response 25%
• Energy Transition 25%
• Computational Spectroscopy 25%
• Molecular Environment 25%
• Frequency Moments 25%
• Novel Developments 25%
• Electronic Structure Methods 25%

Chemistry

• Electronic State 100%
• vibrational spectroscopy 100%
• Molecular Dynamics 50%
• Multipole 50%
• Response Function 50%
• Molecular dynamics simulation 50%
• Chromophore 50%
• Normal Modes 25%
• Anharmonicity 25%
• Anharmonic Oscillator 25%
• Condensed Phase 25%
• Vibrational Transition 25%
• Computational Spectroscopy 25%
• Vibrational Spectra 25%
• Polypeptide 25%