Evaluation of the molecular polarizability using the IPPP-CLOPPA-INDO/S method. Application to molecules of biological interest.
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Polarizability rescaling and atom-based Thole scaling in the CHARMM Drude polarizable force field for ethers.Nonadditive empirical force fields for short-chain linear alcohols: methanol to butanol. Hydration free energetics and Kirkwood-Buff analysis using charge equilibration modelsMolecular modeling and dynamics studies with explicit inclusion of electronic polarizability. Theory and applicationsPolarizable empirical force field for nitrogen-containing heteroaromatic compounds based on the classical Drude oscillator.
P2860
Evaluation of the molecular polarizability using the IPPP-CLOPPA-INDO/S method. Application to molecules of biological interest.
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2008 nî lūn-bûn
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2008年の論文
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2008年学术文章
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name
Evaluation of the molecular po ...... ecules of biological interest.
@en
Evaluation of the molecular po ...... ecules of biological interest.
@nl
type
label
Evaluation of the molecular po ...... ecules of biological interest.
@en
Evaluation of the molecular po ...... ecules of biological interest.
@nl
prefLabel
Evaluation of the molecular po ...... ecules of biological interest.
@en
Evaluation of the molecular po ...... ecules of biological interest.
@nl
P2093
P356
P1476
Evaluation of the molecular po ...... lecules of biological interest
@en
P2093
Claudia Giribet
Edith Botek
Martín Ruiz de Azúa
Ricardo Martín Negri
P304
P356
10.1021/JP711620M
P407
P50
P577
2008-07-02T00:00:00Z