Spectral Properties
First-principles calculation of x-ray dichroic spectra within the full-potential linearized augmented planewave method: An implementation into the Wien2k code
Lorenzo Pardin i a,b,d , Valerio Bellini b , Franca Manghi b,c , Claudia Ambrosch-Draxl d a ICCOM-CNR, Via G. Moruzzi 1, I-56124 Pisa, I…
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Transition Metal Compounds
The electronic structure in 3d transition metal complexes: Can we measure oxidation states?
Abstract: We discuss the information on the electronic structure that can be obtained by Kshell absorption and emission spectroscopy in systems t…
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Spectral Properties
First-principles calculations of the electronic structure and spectra of strongly correlated systems: the LDA+ U method
Vladimir I Anisimov dag , F Aryasetiawan ddag and A I Lichtenstein § Abstract A generalization of the local density approximation (LDA) …
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Transition Metal Compounds
Electronic Structure and Spectra of CuO
C. E. Ekuma , V. I. Anisimov , J. Moreno , M. Jarrell Abstract: We report the electronic structure of monoclinic CuO as obtained from f…
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Transition Metal Compounds
Formation of Hubbard-like bands as a fingerprint of strong electron-electron interactions in FeSe
Matthew D. Watson , Steffen Backes , Amir A. Haghighirad , Moritz Hoesch , Timur K. Kim , Amalia I. Coldea , Roser Valenti (Submitted on 8 …
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Transition Metal Compounds
RAMAN SPECTRA OF NICKEL(II) SULFIDE
ABSTRACT The phase morphology of nickel sulfide (NiS) has received attention because of the possible correlation between fracture of toughened …
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Transition Metal Compounds
Chemical Bath Deposition of Nickel Sulphide (Ni4S3) Thin Films
Abstract Thin films of nickel sulphide were deposited from aqueous baths on indium tin oxide glass substrate. The chemical bath contained nicke…
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Spectral Properties
X-Ray Studies of molybdenium and Tungsten phosphides
Abstract: To download the article click on the link below: http://actachemscand.dk/pdf/acta_vol_17_p0037-0046.pdf
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Transition Metal Compounds
Electronic structure of MeS (Me = Ni, Co, Fe): X-ray absorption analysis
1st Alexander Soldatov 41.91 · Southern Federal University 2nd A N Kravtsova 3rd M E Fleet Abstract The sulf…
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Transition Metal Compounds
Sulfur K-edge XANES study of local electronic structure in ternary monosulfide solid solution [(Fe, Co, Ni)0.923S]
S. P. Farrell M. E. Fleet Abstract: Synchrotron radiation S K-edge XANES spectra and unit-cell parameters are used to investigate the local ele…
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Transition Metal Compounds
LDA+DMFT approach to core-level spectroscopy: application to 3d transition metal compounds
Atsushi Hariki,1 Takayuki Uozumi,2 and Jan Kuneˇs1 1 Institute for Solid State Physics, TU Wien, 1040 Vienna, Austria 2Department of Mathematical…
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Transition Metal Compounds
CuX (X= I, Br and Cl) based coordination polymers of azino-pyridyl ligand and PPh3: Structural, spectral, electro-chemical, and DFT studies
Jahangir Mondal , Anindita Mukherjee , Goutam K Patra , Department of Chemistry, Guru Ghasidas Vishwavidyalaya, Bilaspur (C.G) Received …
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