Examination of the hydrogen-bonding networks in small water clusters (n = 2-5, 13, 17) using absolutely localized molecular orbital energy decomposition analysis.
about
Molecular orbital analysis of the hydrogen bonded water dimer.Microscopic properties of liquid water from combined ab initio molecular dynamics and energy decomposition studies.Collective proton transfer in ordinary ice: local environments, temperature dependence and deuteration effects.Unrestricted absolutely localized molecular orbitals for energy decomposition analysis: theory and applications to intermolecular interactions involving radicals.Alternative definitions of the frozen energy in energy decomposition analysis of density functional theory calculations.π-Cooperativity effect on the base stacking interactions in DNA: is there a novel stabilization factor coupled with base pairing H-bonds?The HO2 + (H2O)n + O3 reaction: an overview and recent developmentsThe Role of (H₂O) in the CH₂O + ClO Gas-Phase Reaction
P2860
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P2860
Examination of the hydrogen-bonding networks in small water clusters (n = 2-5, 13, 17) using absolutely localized molecular orbital energy decomposition analysis.
description
2012 nî lūn-bûn
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2012年の論文
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name
Examination of the hydrogen-bo ...... energy decomposition analysis.
@en
Examination of the hydrogen-bo ...... energy decomposition analysis.
@nl
type
label
Examination of the hydrogen-bo ...... energy decomposition analysis.
@en
Examination of the hydrogen-bo ...... energy decomposition analysis.
@nl
prefLabel
Examination of the hydrogen-bo ...... energy decomposition analysis.
@en
Examination of the hydrogen-bo ...... energy decomposition analysis.
@nl
P2093
P2860
P356
P1476
Examination of the hydrogen-bo ...... energy decomposition analysis.
@en
P2093
Erika A Cobar
Martin Head-Gordon
Paul R Horn
Robert G Bergman
P2860
P304
15328-15339
P356
10.1039/C2CP42522J
P407
P577
2012-10-10T00:00:00Z