X-ray absorption near-edge structure calculations beyond the muffin-tin approximation
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X-ray absorption near-edge structure calculations with the pseudopotentials: Application to the K edge in diamond and α -quartzTowards accurate structural characterization of metal centres in protein crystals: the structures of Ni and Cu T6bovine insulin derivativesThe structures of T6, T3R3 and R6 bovine insulin: combining X-ray diffraction and absorption spectroscopyInvestigating the electronic structure and bonding in uranyl compounds by combining NEXAFS spectroscopy and quantum chemistryLocal structure of Ge quantum dots determined by combined numerical analysis of EXAFS and XANES data.The role of the 5f valence orbitals of early actinides in chemical bondingProbing spin-vibronic dynamics using femtosecond X-ray spectroscopy.NO binding kinetics in myoglobin investigated by picosecond Fe K-edge absorption spectroscopy.Synchrotron ultrafast techniques for photoactive transition metal complexes.Valence to core X-ray emission spectroscopy.Extraction of local coordination structure in a low-concentration uranyl system by XANES.Simulations of iron K pre-edge X-ray absorption spectra using the restricted active space method.Efficient Decarbonylation of Furfural to Furan Catalyzed by Zirconia-Supported Palladium Clusters with Low Atomicity.Characterization of selenium in UO2 spent nuclear fuel by micro X-ray absorption spectroscopy and its thermodynamic stability.Hydrodeoxygenation of water-insoluble bio-oil to alkanes using a highly dispersed Pd-Mo catalyst.Photooxidation and photoaquation of iron hexacyanide in aqueous solution: A picosecond X-ray absorption study.Synergy between XANES spectroscopy and DFT to elucidate the amorphous structure of heterogeneous catalysts: TiO2-supported molybdenum oxide catalysts.Electronic structure and hybridization of CaS by means of X-ray absorption spectroscopy at Ca and S K-edges.Structural and electronic evolution of the As(OH)3 molecule in high temperature aqueous solutions: an x-ray absorption investigation.Local structure of reaction intermediates probed by time-resolved x-ray absorption near edge structure spectroscopy.Photocatalysis with chromium-doped TiO2: bulk and surface doping.Unraveling 5f-6d hybridization in uranium compounds via spin-resolved L-edge spectroscopy.Quantification of copper phases, their reducibility and dispersion in doped-CuCl2/Al2O3 catalysts for ethylene oxychlorination.Structural motifs of pre-nucleation clusters.The nature of chemical bonding in actinide and lanthanide ferrocyanides determined by X-ray absorption spectroscopy and density functional theory.Estimating the number of pure chemical components in a mixture by X-ray absorption spectroscopy.XANES study of vanadium and nitrogen dopants in photocatalytic TiO2 thin films.Thermally induced structural rearrangement of the Fe(II) coordination geometry in metallo-supramolecular polyelectrolytes.Increasing the applicability of density functional theory. V. X-ray absorption spectra with ionization potential corrected exchange and correlation potentials.The influence of the I/Cl ratio on the performance of CH3NH3PbI(3-x)Cl(x)-based solar cells: why is CH3NH3I : PbCl2 = 3 : 1 the "magic" ratio?Band Filling Control of the Dzyaloshinskii-Moriya Interaction in Weakly Ferromagnetic Insulators.Appearance potential spectroscopy with a photon counting detector and multiple scattering spectral interpretationHigh energy resolution core-level X-ray spectroscopy for electronic and structural characterization of osmium compoundsIncorporation of nitrogen in Co:ZnO studied by x-ray absorption spectroscopy and x-ray linear dichroismQuantitative local structure determination in mica crystals:ab initiosimulations of polarization XANES at the potassiumK-edgeAtomic structure of the copper bromide complex based on benzoin 1′-phthalazinylhydrazone: DFT and X-ray absorption spectroscopy analysisHigh energy resolution x-ray absorption spectroscopy study of uranium in varying valence statesThree-dimensional local structure refinement using a full-potential XANES analysisElectronic structure ofMS(M=Ca,Mg,Fe,Mn): X-ray absorption analysisSurface Science Approach to the Solid-Liquid Interface: Surface-Dependent Precipitation of Ni(OH)2on α-Al2O3Surfaces
P2860
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P2860
X-ray absorption near-edge structure calculations beyond the muffin-tin approximation
description
2001 nî lūn-bûn
@nan
2001 թուականի Մարտին հրատարակուած գիտական յօդուած
@hyw
2001 թվականի մարտին 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
X-ray absorption near-edge structure calculations beyond the muffin-tin approximation
@ast
X-ray absorption near-edge structure calculations beyond the muffin-tin approximation
@en
X-ray absorption near-edge structure calculations beyond the muffin-tin approximation
@nl
type
label
X-ray absorption near-edge structure calculations beyond the muffin-tin approximation
@ast
X-ray absorption near-edge structure calculations beyond the muffin-tin approximation
@en
X-ray absorption near-edge structure calculations beyond the muffin-tin approximation
@nl
prefLabel
X-ray absorption near-edge structure calculations beyond the muffin-tin approximation
@ast
X-ray absorption near-edge structure calculations beyond the muffin-tin approximation
@en
X-ray absorption near-edge structure calculations beyond the muffin-tin approximation
@nl
P2860
P1433
P1476
X-ray absorption near-edge structure calculations beyond the muffin-tin approximation
@en
P2093
P2860
P356
10.1103/PHYSREVB.63.125120
P407
P577
2001-03-13T00:00:00Z