Faculty Opinions recommendation of Comment on "Evaluating Unexpectedly Short Non-covalent Distances in X-ray Crystal Structures of Proteins with Electronic Structure Analysis".

2019 ◽  
Author(s):  
Wladek Minor ◽  
David Cooper
Keyword(s):  
Electronic Structure ◽  
Crystal Structures ◽  
Structure Analysis ◽  
X Ray

Local electronic structure analysis of Zn-doped BiFeO3 powders by X-ray absorption fine structure spectroscopy

2017 ◽  
Vol 710 ◽  
pp. 843-849 ◽  
Author(s):  
Turghunjan Gholam ◽  
Abduleziz Ablat ◽  
Mamatrishat Mamat ◽  
Rong Wu ◽  
Aimierding Aimidula ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Fine Structure ◽  
Structure Analysis ◽  
X Ray ◽  
Absorption Fine ◽  
Local Electronic Structure ◽  
X Ray Absorption

Zur Struktur und Dotierung von Selenosilikaten: die Kristallstruktur von Er2SeSiO4 und Er3,75Ca0,25Se2,75Cl0,25Si2O7 Structure and Doping of Seleno Silicates: the Crystal Structures of Er2SeSiO4 and Er3,75Ca0,25Se2,75Cl0,25Si2O7

1994 ◽  
Vol 49 (6) ◽  
pp. 733-740 ◽  
Author(s):  
Klaus Stöwe
Keyword(s):  
Crystal Structures ◽  
Structure Analysis ◽  
Rare Earths ◽  
Structure Determination ◽  
Lattice Parameters ◽  
Energy Dispersive ◽  
Space Group ◽  
X Ray ◽  
By Products

Well-shaped brown and pink isometric crystals were obtained as by-products of the synthesis of erbium selenides from the elements in evacuated and sealed silica ampoules with graphite inlets. They could be identified as erbium seleno mono- and disilicates by energy dispersive X-ray fluorescence and X-ray structure determination. The monosilicate Er2SeSiO4 crystallizes isotypically to Nd2SeSiO4 in the space group Pbcm with the lattice parameters a = 600.2(2), b = 688.0(2), c = 1075.2(2) pm and represents the second known seleno inosilicate of the rare earths. From X-ray structure analysis an isotypic relation between the disilicate Er3,75Ca0,25Se2,75Cl0,25Si2O7 and the compound Sm4S3Si2O7 was found, the former crystallizing in the space group I41/amd with the lattice parameters a - 1177.7(2) and c = 1376.5(2) pm. The doping o f the sorosilicate with the elements Ca and Cl originated from contam inations in the graphit inlets used in the procedure

scholarly journals E. S. Fedorov Promoting the Russian-German Scientific Interrelationship

Minerals ◽  
2020 ◽  
Vol 10 (2) ◽  
pp. 181 ◽  
Author(s):  
Peter Paufler ◽  
Stanislav K. Filatov
Keyword(s):  
Crystal Structure ◽  
Crystal Structures ◽  
Structure Analysis ◽  
Crystalline State ◽  
Crystal Structure Analysis ◽  
Present Knowledge ◽  
Personal Contact ◽  
X Ray Diffraction ◽  
X Ray ◽  
The Impact

At the dawn of crystal structure analysis, the close personal contact between researchers in Russia and Germany, well documented in the “Zeitschrift für Krystallographie und Mineralogie”, contributed significantly to the evolution of our present knowledge of the crystalline state. The impact of the Russian crystallographer E. S. Fedorov upon German scientists such as A. Schoenflies and P. Groth and the effect of these contacts for Fedorov are highlighted hundred years after the death of the latter. A creative exchange of ideas paved the way for the analysis of crystal structures with the aid of X-ray diffraction.

scholarly journals Electronic structure analysis of UIr using soft x-ray photoemission spectroscopy and band calculation

2010 ◽  
Vol 200 (1) ◽  
pp. 012229 ◽  
Author(s):  
H Yamagami ◽  
T Ohkochi ◽  
S-i Fujimori ◽  
T Toshimitsu ◽  
A Yasui ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Structure Analysis ◽  
Photoemission Spectroscopy ◽  
Band Calculation ◽  
X Ray

Zur Reaktion von [MCl2(PR3)2] (M = Ni, Pd) mit E(SiMe3)2 (E = S, Se) Die Kristallstrukturen von [Ni3S2Cl2(PPh3)4], [Pd3S2Cl2(PPh3)4], INi3Se2(SeSiMe3)2(P(C2H4Ph)3)4] und [Pd3Se2(SeSiMe3)2(PPh3)4] / Reaction of [MCl2(PR3)2] (M = Ni, Pd) with E(SiMe3)2 (E = S, Se) The Crystal Structures of [Ni3S2Cl2(PPh3)4], [Pd3S2Cl2(PPh3)4], [Ni3Se2(SeSiMe3)2(P(C2H4Ph)3)4] and [Pd3Se2(SeSiMe3)2(PPh3)4]

1990 ◽  
Vol 45 (2) ◽  
pp. 127-133 ◽  
Author(s):  
Dieter Fenske ◽  
Holm Fleischer ◽  
Harald Krautscheid ◽  
Jörg Magull
Keyword(s):  
Crystal Structure ◽  
Crystal Structures ◽  
Structure Analysis ◽  
Crystal Structure Analysis ◽  
X Ray ◽  
Triangular Clusters

[MC12(PR3)2] (M = Ni, Pd) reacts with E(SiMe3)2 (E = S, Se) to form triangular clusters, [Ni3S2Cl2(PPh3)4] (1), [Pd3S2Cl2(PPh3)4] (2), [Ni3Se2(SeSiMe3)2(P(C2H4Ph)3)4] (4) and [Pd3Se2(SeSiMe3)2(PPh3)4] (3). 1-4 have been characterized by X-ray crystal structure analysis. All these compounds contain a triangular M3-core, which is capped by two μ3-E-ligands (E = S in 1, Se in 3 and 4).

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