Modeling induction phenomena in intermolecular interactions with an ab lnitio force field

Keyphrases

• Force Field 100%
• Binding Energy 100%
• Intermolecular Interactions 100%
• Induction Activity 100%
• Polarizability 66%
• Potential Energy Function 66%
• Polarizable 66%
• Symmetry-adapted Perturbation Theory 66%
• CHARMM 66%
• Induction Energy 66%
• Quantum Mechanical 33%
• Calcium Ion 33%
• Target Binding 33%
• Repulsion 33%
• Dipole 33%
• Polarizable Force Field 33%
• Parametrization 33%
• Plug-and-play 33%
• Cation Binding 33%
• Brute Force 33%
• Field Yield 33%
• Lennard-Jones Parameters 33%
• Divalent 33%
• Van Der Waals Potential 33%
• Charge Flow 33%
• Polarizable Model 33%
• P-base 33%
• Force Comparison 33%
• Distributed Polarizabilities 33%
• Induction Effect 33%

Chemistry

• Binding Energy 100%
• Polarizability 100%
• Intermolecular Force 100%
• k·p perturbation theory 66%
• Potential Energy Function 66%
• Perturbation Theory 66%
• Van Der Waals Potential 33%
• Calcium Ion 33%

Material Science

• Potential Energy Function 100%
• Calcium Ion 50%