Electronic basis of improper hydrogen bonding: a subtle balance of hyperconjugation and rehybridization.
about
Interplay of hydrogen bonds and n→π* interactions in proteinsSmart responsive phosphorescent materials for data recording and security protection.The Comparative Studies of Binding Activity of Curcumin and Didemethylated Curcumin with Selenite: Hydrogen Bonding vs Acid-Base InteractionsHydrogen Bonding Interaction between Atmospheric Gaseous Amides and Methanol.Hydrogen bonding in ionic liquids.Experimental Atom-by-Atom Dissection of Amide-Amide and Amide-Hydrocarbon Interactions in H2O.Negative hyperconjugation and red-, blue- or zero-shift in X-Z∙∙∙Y complexes.Theoretical study on the complexes of benzene with isoelectronic nitrogen-containing heterocyclesTheoretical studies of the interaction between enflurane and water.Theoretical study on effects of hydrogen bonding on the ring stretching modes of pyridine.π-π Stacking and ferromagnetic coupling mechanism on a binuclear Cu(II) complex.From atomic to molecular anions: a neutral receptor captures cyanide using strong C-H hydrogen bonds.Halogen bonding interaction of chloromethane with several nitrogen donating molecules: addressing the nature of the chlorine surface σ-hole.On the nature of unusual intensity changes in the infrared spectra of the enflurane···acetone complexes.Theoretical study of the thermodynamic and burning properties of oxygen-rich hydrazine derivatives--green and powerful oxidants for energetic materials.p-benzoquinone-benzene clusters as potential nanomechanical devices: a theoretical study.Probing C-H...X hydrogen bonds in amide-functionalized imidazolium salts under high pressure.Spectroscopic investigation and hydrogen-bonding analysis of triazinones.Lasagna-type arrays with halide-nitromethane cluster filling. The first recognition of the Hal(-)···HCH2NO2 (Hal = Cl, Br, I) hydrogen bonding.Discrimination between hydrogen bonding and protonation in the spectra of a surface-enhanced Raman sensor.Synthesis, X-ray Single Crystal Structure, Molecular Docking and DFT Computations on N-[(1E)-1-(2H-1,3-Benzodioxol-5-yl)-3-(1H-imidazol-1-yl)propylidene]-hydroxylamine: A New Potential Antifungal Agent Precursor.Structure, spectra and stability of a tetrafluoromethane-water complex.Carbamate stabilities of sterically hindered amines from quantum chemical methods: relevance for CO2 capture.Theoretical investigations into the blue-shifting hydrogen bond in benzene complexes.Coexistence of dihydrogen, blue- and red-shifting hydrogen bonds in an ultrasmall system: valine.The effect of intermolecular hydrogen bonding on the planarity of amides.A theoretical investigation on the conformation and the interaction of CHF₂OCF₂CHF₂ (desflurane II) with one water molecule.Z-H Bond Activation in (Di)hydrogen Bonding as a Way to Proton/Hydride Transfer and H2 Evolution.Hydrogen bonds and other interactions as a response to protect doublet/octet electron structure.Theoretical investigation of gas-phase molecular complex formation between 2-hydroxy thiophenol and a water molecule.Assessing the attractive/repulsive force balance in axial cyclohexane C-Hax ···Yax contacts: A combined computational analysis in monosubstituted cyclohexanes.First-principles study of fluoroform adsorption on a hexagonal ice (0001) surface: weak hydrogen bonds-strong structural effects.Hydrogen bonds, and σ-hole and π-hole bonds - mechanisms protecting doublet and octet electron structures.Theoretical investigation on hydrogen bond interaction of diketo/keto-enol form uracil and thymine tautomers with intercalators.Continuum in the X-Z---Y weak bonds: Z= main group elements.Theoretical investigation of the halogen bonded complexes between carbonyl bases and molecular chlorine.A computational study of hydrogen bonds in intermolecular systems of high complexity: arachno-pentaborane(11)···Y with Y = O2 and N 2.Ion-pairing of phosphonium salts in solution: C-H⋅⋅⋅halogen and C-H⋅⋅⋅π hydrogen bonds.Intermolecular CH···O/N H-bonds in the biologically important pairs of natural nucleobases: a thorough quantum-chemical study.Matrix-isolation infrared studies of 1:1 molecular complexes containing chloroform (CHCl3) and Lewis bases: seamless transition from blue-shifted to red-shifted hydrogen bonds.
P2860
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P2860
Electronic basis of improper hydrogen bonding: a subtle balance of hyperconjugation and rehybridization.
description
2003 nî lūn-bûn
@nan
2003年の論文
@ja
2003年学术文章
@wuu
2003年学术文章
@zh
2003年学术文章
@zh-cn
2003年学术文章
@zh-hans
2003年学术文章
@zh-my
2003年学术文章
@zh-sg
2003年學術文章
@yue
2003年學術文章
@zh-hant
name
Electronic basis of improper h ...... njugation and rehybridization.
@en
Electronic basis of improper h ...... njugation and rehybridization.
@nl
type
label
Electronic basis of improper h ...... njugation and rehybridization.
@en
Electronic basis of improper h ...... njugation and rehybridization.
@nl
prefLabel
Electronic basis of improper h ...... njugation and rehybridization.
@en
Electronic basis of improper h ...... njugation and rehybridization.
@nl
P356
P1476
Electronic basis of improper h ...... njugation and rehybridization.
@en
P2093
Mariappan Manoharan
Scott Peabody
P304
P356
10.1021/JA034656E
P407
P577
2003-05-01T00:00:00Z