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Direct Evaluation of Nonbonding Interactions from ab Initio Calculations
Uri Dinur
, Arnold T. Hagler
Department of Chemistry
Research output
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Contribution to journal
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Article
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peer-review
33
Scopus citations
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Keyphrases
Direct Evaluation
100%
Ab Initio Calculations
100%
Non-bonded Interactions
100%
Polarizability
50%
Novel Technique
50%
Intermolecular Forces
50%
Repulsion
50%
Transferability
50%
Ligand Binding
50%
Quantum Mechanical
50%
Partial Atomic Charges
50%
Protein Assembly
50%
Molecular Assembly
50%
Anisotropy
50%
Mechanical Energy
50%
Second Derivative
50%
Biological Events
50%
Energy Surface
50%
Interatomic Interaction
50%
Chemistry
Anisotropy
100%
Intermolecular Force
100%
Ab Initio Calculation
100%
Interfacial Energy
100%
Polarizability
100%
Physics
Anisotropy
100%
Surface Energy
100%
Intermolecular Force
100%
Material Science
Anisotropy
100%
Surface Energy
100%
Ab Initio Calculation
100%