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Keyphrases
Nuclear Magnetic Resonance
100%
Computational Study
100%
Anion Binding
100%
Magnetic Resonance Techniques
100%
Ammonium Ion
100%
18-crown-6
100%
Low Energy
25%
Density Functional Theory
12%
Molecular Dynamics Simulation
12%
Ammonium Chloride
12%
Structure Dynamics
12%
Methanol
12%
Solvation
12%
Energy Difference
12%
Titration
12%
Density Functional Calculations
12%
Implicit Solvent
12%
1H nuclear Magnetic Resonance (1H NMR)
12%
Nuclear Magnetic Resonance Experiment
12%
Geometry Relaxation
12%
Binding Energy
12%
Crown Ether
12%
W-shaped
12%
Equilibrium Dissociation Constant
12%
Binding Thermodynamics
12%
Deuterated Methanol
12%
Single Crown
12%
Ion Complexes
12%
Ligand Interactions
12%
Basis Set Superposition Error
12%
Chemistry
NMR Spectroscopy
100%
Ammonium Ion
100%
Dibenzo-18-Crown-6
100%
Methanol
25%
Conformational Isomer
25%
Density Functional Theory
25%
Relaxation
12%
Solvation
12%
Binding Energy
12%
Crown Ether
12%
Equilibrium Constant
12%
Ammonium Chloride
12%
Molecular Dynamics Simulation
12%
Ligand Binding
12%
Thermodynamics
12%
Titration
12%