Proton transfer in ammonia cluster cations: molecular dynamics in a self consistent field

Keyphrases

• Self-consistent Field 100%
• Proton Transfer 100%
• Potential Energy Surface 100%
• Ammonia Clusters 100%
• Molecular Dynamics 100%
• Degrees of Freedom 50%
• Quantum Mechanical 50%
• Photoionization 50%
• Reaction Pathway 50%
• Hartree-Fock 50%
• Large Region 50%
• Electronic Energy 50%
• Measurement Discrepancy 50%
• Dynamic Calculation 50%
• Newton Equation 50%
• Proton Transfer Mechanism 50%
• Vertical Ionization 50%
• Intramolecular Dynamics 50%
• Open-shell 50%
• Energetic Calculation 50%
• Born-Oppenheimer Surface 50%
• Structural Calculation 50%
• Time Increment 50%

Chemistry

• Cation 100%
• Energetics 100%
• Molecular Dynamics 100%
• Proton Transfer 100%
• Ammonia 66%
• Potential Energy Surface 66%
• Structure 33%
• Photoionization 33%
• Reaction Path 33%
• Intramolecular Dynamics 33%

Material Science

• Surface Energy 100%