Dihydrogen bonding: structures, energetics, and dynamics.
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Desolvation and dehydrogenation of solvated magnesium salts of dodecahydrododecaborate: relationship between structure and thermal decomposition.Computational investigation of [FeFe]-hydrogenase models: characterization of singly and doubly protonated intermediates and mechanistic insights.Can non-polar hydrogen atoms accept hydrogen bonds?N-H⋯O versus O-H⋯O: density functional calculation and first principle molecular dynamics study on a quinoline-2-carboxamide N-oxideSynthetic models for the active site of the [FeFe]-hydrogenase: catalytic proton reduction and the structure of the doubly protonated intermediate.Diiron azadithiolates as models for the [FeFe]-hydrogenase active site and paradigm for the role of the second coordination sphereEnergy decomposition analysis based on a block-localized wavefunction and multistate density functional theoryFunctional role of Asp160 and the deprotonation mechanism of ammonium in the Escherichia coli ammonia channel protein AmtB.Metal borohydrides and derivatives - synthesis, structure and properties.Frustration across the periodic table: heterolytic cleavage of dihydrogen by metal complexes.Dihydrogen bond cooperativity in (HCCBeH)n clusters.Heterolytic cleavage of hydrogen by an iron hydrogenase model: an Fe-H⋅⋅⋅H-N dihydrogen bond characterized by neutron diffraction.Characterization of a high pressure, high temperature modification of ammonia borane (BH3NH3).Heterolytic activation of dihydrogen by platinum and palladium complexes.An ab initio theoretical prediction: an antiaromatic ring pi-dihydrogen bond accompanied by two secondary interactions in a "wheel with a pair of pedals" shaped complex FH . . . C4H4 . . . HF.Barriers to internal rotation around the C-N bond in 3-(o-aryl)-5-methyl-rhodanines using NMR spectroscopy and computational studies. Electron density topological analysis of the transition states.Structural and theoretical studies of intermolecular dihydrogen bonding in [(C6F5)2(C6Cl5)B]-H···H-[TMP].Selective borane reduction of phosphinoferrocene carbaldehydes to phosphinoalcohol-borane adducts. The coordination behaviour of 1-(diphenylphosphino)-1'-(methoxymethyl)ferrocene, a new ferrocene O,P-hybrid donor prepared from such an adduct.Toward a consistent interpretation of the QTAIM: tortuous link between chemical bonds, interactions, and bond/line paths.IR spectrum and structure of a protonated disilane: probing the Si-H-Si proton bridge.Electronic structure of aqueous borohydride: a potential hydrogen storage medium.Bio-inspired computational design of iron catalysts for the hydrogenation of carbon dioxide.Hydrogen bonds determine the structures of the ternary heterocyclic complexes C₂H₄O···2HF, C₂H₅N···2HF and C₂H₄S···2HF: density functional theory and topological calculations.Band gap engineering of BN sheets by interlayer dihydrogen bonding and electric field control.Coexistence of dihydrogen, blue- and red-shifting hydrogen bonds in an ultrasmall system: valine.Increasing the rate of hydrogen oxidation without increasing the overpotential: a bio-inspired iron molecular electrocatalyst with an outer coordination sphere proton relay.A computational study of the dihydrogen bonded complexes HBeH ... HArF and HBeH ... HKrF.A Critical Check for the Role of Resonance in Intramolecular Hydrogen Bonding.Tunable dipole induced hydrogen bonds between a hydrogen molecule and alkali halides.Nature and Strength of the Inner-Core H⋅⋅⋅H Interactions in Porphyrinoids.Gold(I) Hydrides as Proton Acceptors in Dihydrogen Bond Formation.Influence of intramolecular vs. intermolecular phosphonium-borohydrides in catalytic hydrogen, hydride, and proton transfer reactions.Toward deformation densities for intramolecular interactions without radical reference states using the fragment, atom, localized, delocalized, and interatomic (FALDI) charge density decomposition scheme.Theoretical study on σ- and π-hole carboncarbon bonding interactions: implications in CFC chemistry.Dihydrogen intermolecular contacts in group 13 compounds: HH or EH (E = B, Al, Ga) interactions?Frustrated Lewis Pair Catalyzed Dehydrogenative Oxidation of Indolines and Other Heterocycles.Delocalized π state between molecules through a surface confined pseudodihydrogen bond.Hydrogen bonds, and σ-hole and π-hole bonds - mechanisms protecting doublet and octet electron structures.Structure, energy, vibrational spectrum, and Bader's analysis of π···H hydrogen bonds and H(-δ)···H(+δ) dihydrogen bonds.Influence of the Homopolar Dihydrogen Bonding C-H⋅⋅⋅H-C on Coordination Geometry: Experimental and Theoretical Studies.
P2860
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P2860
Dihydrogen bonding: structures, energetics, and dynamics.
description
2001 nî lūn-bûn
@nan
2001 թուականի Յուլիսին հրատարակուած գիտական յօդուած
@hyw
2001 թվականի հուլիսին հրատարակված գիտական հոդված
@hy
2001年の論文
@ja
2001年論文
@yue
2001年論文
@zh-hant
2001年論文
@zh-hk
2001年論文
@zh-mo
2001年論文
@zh-tw
2001年论文
@wuu
name
Dihydrogen bonding: structures, energetics, and dynamics.
@ast
Dihydrogen bonding: structures, energetics, and dynamics.
@en
Dihydrogen bonding: structures, energetics, and dynamics.
@nl
type
label
Dihydrogen bonding: structures, energetics, and dynamics.
@ast
Dihydrogen bonding: structures, energetics, and dynamics.
@en
Dihydrogen bonding: structures, energetics, and dynamics.
@nl
prefLabel
Dihydrogen bonding: structures, energetics, and dynamics.
@ast
Dihydrogen bonding: structures, energetics, and dynamics.
@en
Dihydrogen bonding: structures, energetics, and dynamics.
@nl
P356
P1433
P1476
Dihydrogen bonding: structures, energetics, and dynamics.
@en
P2093
J E Jackson
R Custelcean
P304
P356
10.1021/CR000021B
P577
2001-07-01T00:00:00Z