The Accuracy of Density Functional Theory in the Description of Cation-π and π-Hydrogen Bond Interactions.
about
Molecule-specific determination of atomic polarizabilities with the polarizable atomic multipole model.Evaluation of density functional methods on the geometric and energetic descriptions of species involved in Cu⁺-promoted catalysis.Comparative analysis of the performance of commonly available density functionals in the determination of geometrical parameters for copper complexes.Halogen bonds with benzene: an assessment of DFT functionals.Application of quantum mechanics/molecular mechanics methods in the study of enzymatic reaction mechanismsComputational study on the mechanism of N-phenylimine derivatives’ pyrolysis reaction in the gas phase
P2860
The Accuracy of Density Functional Theory in the Description of Cation-π and π-Hydrogen Bond Interactions.
description
2011 nî lūn-bûn
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2011年の論文
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2011年学术文章
@wuu
2011年学术文章
@zh-cn
2011年学术文章
@zh-hans
2011年学术文章
@zh-my
2011年学术文章
@zh-sg
2011年學術文章
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2011年學術文章
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2011年學術文章
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name
The Accuracy of Density Functi ...... π-Hydrogen Bond Interactions.
@en
The Accuracy of Density Functi ...... π-Hydrogen Bond Interactions.
@nl
type
label
The Accuracy of Density Functi ...... π-Hydrogen Bond Interactions.
@en
The Accuracy of Density Functi ...... π-Hydrogen Bond Interactions.
@nl
prefLabel
The Accuracy of Density Functi ...... π-Hydrogen Bond Interactions.
@en
The Accuracy of Density Functi ...... π-Hydrogen Bond Interactions.
@nl
P50
P356
P1476
The Accuracy of Density Functi ...... π-Hydrogen Bond Interactions.
@en
P304
P356
10.1021/CT2001667
P577
2011-06-03T00:00:00Z