Defining the contributions of permanent electrostatics, Pauli repulsion, and dispersion in density functional theory calculations of intermolecular interaction energies.
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Doses of Immunogen Contribute to Specificity Spectrums of Antibodies against Aflatoxin.Spectroscopic observation of two-center three-electron bonded (hemi-bonded) structures of (H2S) n+ clusters in the gas phase.Probing non-covalent interactions with a second generation energy decomposition analysis using absolutely localized molecular orbitals.Assessing many-body contributions to intermolecular interactions of the AMOEBA force field using energy decomposition analysis of electronic structure calculations.Energy decomposition analysis in an adiabatic picture.Energy decomposition analysis of single bonds within Kohn-Sham density functional theory.On Atoms-in-Molecules Energies from Kohn-Sham Calculations.Perspective: Found in translation: Quantum chemical tools for grasping non-covalent interactions.Covalent bonding in heavy metal oxides.
P2860
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P2860
Defining the contributions of permanent electrostatics, Pauli repulsion, and dispersion in density functional theory calculations of intermolecular interaction energies.
description
2016 nî lūn-bûn
@nan
2016年の論文
@ja
2016年学术文章
@wuu
2016年学术文章
@zh-cn
2016年学术文章
@zh-hans
2016年学术文章
@zh-my
2016年学术文章
@zh-sg
2016年學術文章
@yue
2016年學術文章
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2016年學術文章
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name
Defining the contributions of ...... olecular interaction energies.
@en
Defining the contributions of ...... olecular interaction energies.
@nl
type
label
Defining the contributions of ...... olecular interaction energies.
@en
Defining the contributions of ...... olecular interaction energies.
@nl
prefLabel
Defining the contributions of ...... olecular interaction energies.
@en
Defining the contributions of ...... olecular interaction energies.
@nl
P2093
P2860
P356
P1476
Defining the contributions of ...... olecular interaction energies.
@en
P2093
Martin Head-Gordon
Paul R Horn
Yuezhi Mao
P2860
P304
P356
10.1063/1.4942921
P407
P577
2016-03-01T00:00:00Z