Anharmonic effects in ammonium nitrate and hydroxylammonium nitrate clusters

Keyphrases

• Anharmonic Effect 100%
• Ammonium Nitrate 100%
• Hydroxylammonium Nitrate 100%
• Nuclear Magnetic Shielding 60%
• Ionic Materials 40%
• Acid-base Pairs 40%
• Ionic Clusters 40%
• Stable Structure 20%
• Density Functional Theory 20%
• Parametrization 20%
• Bond Distance 20%
• Prediction Accuracy 20%
• Vibrational Frequencies 20%
• Potential Energy Surface 20%
• Anharmonicity 20%
• Mechanical Force 20%
• Ionic Liquid 20%
• Force Field 20%
• Stretching Frequencies 20%
• Proton Transfer Reaction 20%
• Neutral Species 20%
• Shielding Constant 20%
• Ionic Dimers 20%
• Hydrogen Bond (H-bond) 20%
• Isolated Neutral 20%
• Second-order Vibrational Perturbation Theory 20%

Chemistry

• Ammonium Nitrate 100%
• Electric Shielding Constant 100%
• Monomer 66%
• Pair-Base 66%
• dimer 66%
• k·p perturbation theory 33%
• Vibrational Frequency 33%
• Anharmonicity 33%
• Hydroxyl 33%
• Transfer Reaction 33%
• Potential Energy Surface 33%
• Hydrogen Bonding 33%
• Proton Transfer 33%
• Ionic Liquid 33%
• Perturbation Theory 33%
• Density Functional Theory 33%