Multicenter point charge model for high-quality molecular electrostatic potentials from AM1 calculations.
Guntram RauhutTimothy ClarkPublished in: J. Comput. Chem. (1993)
Keyphrases
- high quality
- high level
- higher order
- database
- computational model
- mathematical model
- formal model
- probabilistic model
- ground truth
- high order
- statistical model
- process model
- theoretical analysis
- network model
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- sensitivity analysis
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- markov random field
- control system
- objective function
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