Toward a consistent interpretation of the QTAIM: tortuous link between chemical bonds, interactions, and bond/line paths.
about
Using neutron powder diffraction and first-principles calculations to understand the working mechanisms of porous coordination polymer sorbents.The novel link between planar möbius aromatic and third order nonlinear optical properties of metal-bridged polycyclic complexes.Saturated vs. unsaturated hydrocarbon interactions with carbon nanostructuresWhere to place the positive muon in the Periodic Table?The topology of the Coulomb potential density. A comparison with the electron density, the virial energy density, and the Ehrenfest force density.Supramolecular Covalence in Bifurcated Chalcogen Bonding.Weak Supramolecular Interactions Governing Parallel and Antiparallel DNA Quadruplexes: Insights from Large-Scale Quantum Mechanics Analysis of Experimentally Derived Models.Cyanide-Assembled d10 Coordination Polymers and Cycles: Excited State Metallophilic Modulation of Solid-State Luminescence.Incorporating nuclear vibrational energies into the "atom in molecules" analysis: An analytical study.Interplay between tetrel and triel bonds in RC6H4CN⋯MF3CN⋯BX3 complexes: A combined symmetry-adapted perturbation theory, Møller-Plesset, and quantum theory of atoms-in-molecules study.Toward deformation densities for intramolecular interactions without radical reference states using the fragment, atom, localized, delocalized, and interatomic (FALDI) charge density decomposition scheme.The Nature of Metal-Metal Interactions in Dimeric Hydrides and Halides of Group 11 Elements in the Light of High Level Relativistic Calculations.New electron delocalization tools to describe the aromaticity in porphyrinoids.Intermolecular carbon-carbon, nitrogen-nitrogen and oxygen-oxygen non-covalent bonding in dipolar molecules.Designing a New Class of Bases for Nucleic Acid Quadruplexes and Quadruplex-Active Ligands.Lone-pair-π interactions: analysis of the physical origin and biological implications.Topological insights into the 1/1 diacetyl/water complex gained using a new methodological approach.Extending the Domain-Averaged Exchange-Correlation Energies Within the Context of the MC-QTAIM: Tracing Subtle Variations Induced by Isotope Substitution.Asymmetric bifurcated halogen bondsMulti-center covalency: revisiting the nature of anion–π interactionsOn the non-classical contribution in lone-pair–π interaction: IQA perspectiveSubstituting CF2for O4′ in Components of Nucleic Acids: Towards Systems with Reduced Propensity to Form Abasic LesionsUnwilling U–U bonding in U2@C80: cage-driven metal–metal bonds in di-uranium fullerenesCompression of Methane Endofullerene CH4@C60as a Potential Route to Endohedral Covalent Fullerene Derivatives: A DFT Study
P2860
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P2860
Toward a consistent interpretation of the QTAIM: tortuous link between chemical bonds, interactions, and bond/line paths.
description
2014 nî lūn-bûn
@nan
2014年の論文
@ja
2014年学术文章
@wuu
2014年学术文章
@zh
2014年学术文章
@zh-cn
2014年学术文章
@zh-hans
2014年学术文章
@zh-my
2014年学术文章
@zh-sg
2014年學術文章
@yue
2014年學術文章
@zh-hant
name
Toward a consistent interpreta ...... ractions, and bond/line paths.
@en
Toward a consistent interpreta ...... ractions, and bond/line paths.
@nl
type
label
Toward a consistent interpreta ...... ractions, and bond/line paths.
@en
Toward a consistent interpreta ...... ractions, and bond/line paths.
@nl
prefLabel
Toward a consistent interpreta ...... ractions, and bond/line paths.
@en
Toward a consistent interpreta ...... ractions, and bond/line paths.
@nl
P2860
P50
P356
P1476
Toward a consistent interpreta ...... ractions, and bond/line paths.
@en
P2860
P304
10140-10152
P356
10.1002/CHEM.201402177
P407
P577
2014-07-02T00:00:00Z