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Numerical stabilities in fitting atomic charges to electric field and electrostatic potential
Ye Mei,
John Z.H. Zhang
Chemistry
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Dive into the research topics of 'Numerical stabilities in fitting atomic charges to electric field and electrostatic potential'. Together they form a unique fingerprint.
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Keyphrases
Numerical Stability
100%
Electrostatic Potential
100%
Atomic Charges
100%
Electric Field Potential
100%
Electric Field (E-field)
57%
Least Square Fitting
42%
Molecular Systems
28%
Radial Distribution
14%
Full Rank
14%
Molecular Processes
14%
Physical Properties
14%
Macromolecules
14%
Molecular Dynamics Simulation
14%
Energy Distribution
14%
Small Molecules
14%
Potential Field
14%
Least Squares
14%
Rank Deficiency
14%
Square Matrix
14%
Solvation Free Energy
14%
Numerical Properties
14%
Mathematics
Numerical Stability
100%
Electric Field
100%
Electrostatic Potential
100%
Least Square Fitting
60%
Molecular System
40%
Least Square
20%
Desirable Property
20%
Square Matrix
20%
Physics
Electrostatics
100%
Electric Fields
100%
Energy Distribution
20%
Radial Distribution
20%
Macromolecule
20%
Free Energy
20%
Molecular Dynamics
20%
Solvation
20%
Material Science
Solvation
100%
Physical Property
100%
Chemical Engineering
Gibbs Free Energy
100%