Revealing non-covalent interactions in solids: NCI plots revisited.
about
Revisiting sulfur H-bonds in proteins: The example of peroxiredoxin AhpE.Thermodynamic cycles of the alkali metal-ligand complexes central to electride formation.Density-functional description of electrides.The explicit examination of the magnetic states of electrides.Extreme density-driven delocalization error for a model solvated-electron system.An assessment of the random-phase approximation functional and characteristics analysis for noncovalent cation-π interactions.Perspective: Found in translation: Quantum chemical tools for grasping non-covalent interactions.Hydrogen Bonding and Stability of Hybrid Organic-Inorganic Perovskites.Noncovalent Interactions between Dopamine and Regular and Defective Graphene.α-Fluoro-o-cresols: The Key Role of Intramolecular Hydrogen Bonding in Conformational Preference and Hydrogen-Bond Acidity.A comparative view on the potential acting on an electron in a molecule and the electrostatic potential through the typical halogen bonds.Tuning the electronic properties of monolayer and bilayer transition metal dichalcogenide compounds under direct out-of-plane compression.A topological study of chemical bonds under pressure: solid hydrogen as a model case.Endohedral gas adsorption by cucurbit[7]uril: a theoretical study.Effect of packing motifs on the energy ranking and electronic properties of putative crystal structures of tricyano-1,4-dithiino[c]-isothiazole.Azo···phenyl stacking: a persistent self-assembly motif guides the assembly of fluorinated cis-azobenzenes into photo-mechanical needle crystals.Conformational preferences of Ac-Gly-NHMe in solutionNCImilano: an electron-density-based code for the study of noncovalent interactionsThe seeming lack of CF⋯HO intramolecular hydrogen bonds in linear aliphatic fluoroalcohols in solutionAn anatomy of intramolecular atomic interactions in halogen-substituted trinitromethanes
P2860
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P2860
Revealing non-covalent interactions in solids: NCI plots revisited.
description
2012 nî lūn-bûn
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2012年の論文
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2012年学术文章
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2012年学术文章
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2012年学术文章
@zh-cn
2012年学术文章
@zh-hans
2012年学术文章
@zh-my
2012年学术文章
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2012年學術文章
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2012年學術文章
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name
Revealing non-covalent interactions in solids: NCI plots revisited.
@en
Revealing non-covalent interactions in solids: NCI plots revisited.
@nl
type
label
Revealing non-covalent interactions in solids: NCI plots revisited.
@en
Revealing non-covalent interactions in solids: NCI plots revisited.
@nl
prefLabel
Revealing non-covalent interactions in solids: NCI plots revisited.
@en
Revealing non-covalent interactions in solids: NCI plots revisited.
@nl
P2093
P2860
P356
P1476
Revealing non-covalent interactions in solids: NCI plots revisited.
@en
P2093
Alberto Otero-de-la-Roza
Erin R Johnson
Julia Contreras-García
P2860
P304
12165-12172
P356
10.1039/C2CP41395G
P407
P577
2012-07-31T00:00:00Z