An energy decomposition analysis for second-order Møller-Plesset perturbation theory based on absolutely localized molecular orbitals.
about
Probing non-covalent interactions with a second generation energy decomposition analysis using absolutely localized molecular orbitals.Compressed representation of dispersion interactions and long-range electronic correlations.Alternative definitions of the frozen energy in energy decomposition analysis of density functional theory calculations.Characterizing the interplay of Pauli repulsion, electrostatics, dispersion and charge transfer in halogen bonding with energy decomposition analysis.Energy decomposition analysis in an adiabatic picture.Halogen Bonds in Novel Polyhalogen Monoanions.Simulating the absorption spectra of helium clusters (N = 70, 150, 231, 300) using a charge transfer correction to superposition of fragment single excitations.
P2860
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P2860
An energy decomposition analysis for second-order Møller-Plesset perturbation theory based on absolutely localized molecular orbitals.
description
2015 nî lūn-bûn
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2015年の論文
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2015年学术文章
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2015年学术文章
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2015年学术文章
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name
An energy decomposition analys ...... localized molecular orbitals.
@en
An energy decomposition analys ...... localized molecular orbitals.
@nl
type
label
An energy decomposition analys ...... localized molecular orbitals.
@en
An energy decomposition analys ...... localized molecular orbitals.
@nl
prefLabel
An energy decomposition analys ...... localized molecular orbitals.
@en
An energy decomposition analys ...... localized molecular orbitals.
@nl
P2860
P356
P1476
An energy decomposition analys ...... localized molecular orbitals.
@en
P2093
Martin Head-Gordon
P2860
P304
P356
10.1063/1.4929479
P407
P577
2015-08-01T00:00:00Z