Polarized Molecular Orbital Model Chemistry. I. Ab Initio Foundations
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Density-functional expansion methods: Grand challengesQuantum mechanical force field for hydrogen fluoride with explicit electronic polarizationPolarized Molecular Orbital Model Chemistry 3. The PMO Method Extended to Organic ChemistrySemiempirical Quantum Mechanical Methods for Noncovalent Interactions for Chemical and Biochemical Applications.Quantum mechanical force field for water with explicit electronic polarization.Improving intermolecular interactions in DFTB3 using extended polarization from chemical-potential equalization.Trifluoromethyl: An Amphiphilic Noncovalent Bonding Partner.Polarization-induced σ-holes and hydrogen bonding.Halogen bonds and σ-holes.
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P2860
Polarized Molecular Orbital Model Chemistry. I. Ab Initio Foundations
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2011 nî lūn-bûn
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2011年の論文
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2011年学术文章
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2011年学术文章
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2011年学术文章
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2011年学术文章
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name
Polarized Molecular Orbital Model Chemistry. I. Ab Initio Foundations
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Polarized Molecular Orbital Model Chemistry. I. Ab Initio Foundations
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type
label
Polarized Molecular Orbital Model Chemistry. I. Ab Initio Foundations
@ast
Polarized Molecular Orbital Model Chemistry. I. Ab Initio Foundations
@en
prefLabel
Polarized Molecular Orbital Model Chemistry. I. Ab Initio Foundations
@ast
Polarized Molecular Orbital Model Chemistry. I. Ab Initio Foundations
@en
P2860
P356
P1476
Polarized Molecular Orbital Model Chemistry. I. Ab Initio Foundations
@en
P2093
Luke Fiedler
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P304
P356
10.1021/CT1006373
P577
2011-03-03T00:00:00Z