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VB/MM-the validity of the underlying approximations
Avital Sharir-Ivry,
Avital Shurki
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Corresponding author for this work
School of Pharmacy
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peer-review
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Scopus citations
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Keyphrases
Valence Bond
100%
Molecular Mechanics
100%
Wave Function
30%
Resonance Integral
30%
Electrostatic Interaction
20%
Bonding Configuration
20%
Dissociation
10%
Choice Method
10%
Van Der Waals Interaction
10%
SN2 Reaction
10%
Molecular Mechanics Method
10%
Quantum Levels
10%
Biological Environment
10%
CH3F
10%
Bond Analysis
10%
Bond-based
10%
Absolute Energy
10%
Molecular Density
10%
Chemistry
Molecular Mechanic
100%
Wave Function
42%
Electrostatic Interaction
28%
Energetics
28%
Valence Bond Calculation
14%
Van Der Waals Force
14%
Valence Bond Methods
14%
Mathematics
wavefunction ψ
100%
Energetics
66%
Van Der Waals
33%
Earth and Planetary Sciences
Chemical Bond
100%
Wave Function
60%
Electrostatics
40%
Chemical Engineering
Molecular Mechanics
100%