Ion aggregation in high salt solutions. III. Computational vibrational spectroscopy of HDO in aqueous salt solutions

Keyphrases

• Virtual Vibrational Spectrometry 100%
• Ion Aggregation 100%
• DStretch 100%
• High-salt Solution 100%
• Aqueous Salt Solution 100%
• Raman Scattering 30%
• IR Absorption Spectra 30%
• Highly Concentrated 20%
• Local Electrostatics 20%
• Transition Dipole Moment 20%
• Transition Dipole 20%
• NaCl Solution 20%
• KSCN Solutions 20%
• Numerical Simulation 10%
• Aqueous Solution 10%
• Molecular Dynamics Simulation 10%
• Fluctuation Dynamics 10%
• Frequency Fluctuation 10%
• Quantitative Model 10%
• Vibrational Frequencies 10%
• Ion-specific Effects 10%
• Vibrational Dynamics 10%
• Quantum Chemical Calculations 10%
• Charge Model 10%
• Solvatochromic 10%
• Electrostatic Bonding 10%
• Vibrational Spectroscopy 10%
• Polarization Effect 10%
• Mode Transition 10%
• Asymmetric Line Shape 10%
• Computational Approach 10%
• Vibronic Transitions 10%
• Salt Solution 10%
• Aggregate Structure 10%
• Local Probes 10%
• Water Structure 10%
• Time-resolved Vibrational Spectroscopy 10%
• Confined Solutions 10%
• Charge Response 10%
• Crowded Solutions 10%
• Bonding Environment 10%
• Non-Condon Effect 10%
• Polarizability Density 10%
• Ion-water Cluster 10%
• Hydrogen Bond (H-bond) 10%
• Water Clusters 10%
• Mode Frequency 10%
• Water Hydrogen-bond Network 10%
• Hydrogen Bond Network Structure 10%

Chemistry

• Hydrogen Bonding 100%
• IR Absorption 100%
• Raman Spectra 100%
• Absorption Spectra 100%
• vibrational spectroscopy 100%
• Dipole Moment 66%
• Electrostatic Force 66%
• Sodium Chloride 66%
• Vibrational Frequency 33%
• Computer Simulation 33%
• Quantum Chemistry 33%
• Lineshape 33%
• Vibrational Transition 33%
• Aqueous Solution 33%
• Polarizability 33%
• Molecular Dynamics Simulation 33%