Are Bond Critical Points Really Critical for Hydrogen Bonding?
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Conformational analysis of 2,2-difluoroethylamine hydrochloride: double gauche effectVisualization of weak interactions between quantum dot and graphene in hybrid materialsInfluence of Fluorination on the Conformational Properties and Hydrogen-Bond Acidity of Benzyl Alcohol Derivatives.Quantitative analysis of intermolecular interactions in orthorhombic rubrene.Hydrogen Bonding Interaction between Atmospheric Gaseous Amides and Methanol.London dispersion in molecular chemistry--reconsidering steric effects.Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron density.Association of symmetrical alkane diols with pyridine: DFT/GIAO calculation of (1) H NMR chemical shifts.Conformational study of L-methionine and L-cysteine derivatives through quantum chemical calculations and 3JHH coupling constant analyses.Microsolvation and hydration enthalpies of CaS2O3(H2O)(n) (n = 0-19) and S2O3(2-)(H2O)(n) (n = 0-16): an ab initio study.Revisiting sulfur H-bonds in proteins: The example of peroxiredoxin AhpE.Halogen bonding interaction of chloromethane with several nitrogen donating molecules: addressing the nature of the chlorine surface σ-hole.Toward a consistent interpretation of the QTAIM: tortuous link between chemical bonds, interactions, and bond/line paths.Understanding the molecular switching properties of octaphyrins.Selectivity of Cobalt Corrole for CO vs. O2 and N2 in Indoor Pollution.Highlights on the Road towards Highly Emitting Solid-State Luminophores: Two Classes of Thiazole-Based Organoboron Fluorophores with the AIEE/AIE Effect.Unravelling hydrogen bonding interactions of tryptamine-water dimer from neutral to cation.Hydrogen bonding characterization in water and small molecules.Atmospheric implication of the hydrogen bonding interaction in hydrated clusters of HONO and dimethylamine in the nighttime.Nature and Strength of the Inner-Core H⋅⋅⋅H Interactions in Porphyrinoids.An MEDT study of the carbenoid-type [3 + 2] cycloaddition reactions of nitrile ylides with electron-deficient chiral oxazolidinones.On the importance of intramolecular hydrogen bond cooperativity in d-glucose - an NMR and QTAIM approach.Mechanistic Insights into the Mode of Action of Bifunctional Pyrrolidine-Squaramide-Derived Organocatalysts.Ring-Size Effects on the Stability and Spectral Shifts of Hydrogen Bonded Cyclic Ethers Complexes.Inhibitors against Fungal Cell Wall Remodeling Enzymes.Significant evidence of C···O and C···C long-range contacts in several heterodimeric complexes of CO with CH3-X, should one refer to them as carbon and dicarbon bonds!Intermolecular carbon-carbon, nitrogen-nitrogen and oxygen-oxygen non-covalent bonding in dipolar molecules.Understanding conductivity in molecular switches: a real space approach in octaphyrins.Intramolecular symmetry-adapted perturbation theory with a single-determinant wavefunction.Unraveling non-covalent interactions within flexible biomolecules: from electron density topology to gas phase spectroscopy.Understanding the conformational behaviour of Ac-Ala-NHMe in different media. A joint NMR and DFT study.Unusual bonding modes of perfluorobenzene in its polymeric (dimeric, trimeric and tetrameric) forms: entirely negative fluorine interacting cooperatively with entirely negative fluorine.The two faces of hydrogen-bond strength on triple AAA-DDD arrays.Acidity and basicity interplay in amide and imide self-association.Conformational preferences of Ac-Gly-NHMe in solutionExperimental and theoretical evaluation on the conformational behavior of l-aspartic acid dimethyl ester and its N-acetylated derivativeThe seeming lack of CF⋯HO intramolecular hydrogen bonds in linear aliphatic fluoroalcohols in solutionInterpretation of the reduced density gradientUnusual hydrogen bond patterns contributing to supramolecular assembly: conformational study, Hirshfeld surface analysis and density functional calculations of a new steroid derivative
P2860
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P2860
Are Bond Critical Points Really Critical for Hydrogen Bonding?
description
2013 nî lūn-bûn
@nan
2013年の論文
@ja
2013年論文
@yue
2013年論文
@zh-hant
2013年論文
@zh-hk
2013年論文
@zh-mo
2013年論文
@zh-tw
2013年论文
@wuu
2013年论文
@zh
2013年论文
@zh-cn
name
Are Bond Critical Points Really Critical for Hydrogen Bonding?
@en
type
label
Are Bond Critical Points Really Critical for Hydrogen Bonding?
@en
prefLabel
Are Bond Critical Points Really Critical for Hydrogen Bonding?
@en
P50
P356
P1476
Are Bond Critical Points Really Critical for Hydrogen Bonding?
@en
P2093
Jean-Philip Piquemal
P304
P356
10.1021/CT400420R
P577
2013-07-23T00:00:00Z