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Gunter Heymann Jan F. Riecken Sudhindra Rayaprol Sandra Christian Rainer Pöttgen Prof. Dr. Hubert Huppertz PD Dr. 《无机化学与普通化学杂志》2007,633(1):77-82
The high‐pressure (HP) modification of CePdSn was synthesized under multianvil high‐pressure (10.5 GPa) high‐temperature (1100 °C) conditions from the normal‐pressure (NP) modification. The structures of both modifications were studied by X‐ray powder and single crystal diffraction: TiNiSi type, Pnma, a = 754.1(2), b = 470.6(1), c = 798.4(3) pm, wR2 = 0.0333, 945 F2 values, 20 variables for NP‐CePdSn and ZrNiAl type, , a = 760.03(5), c = 416.06(3) pm, wR2 = 0.0443, 248 F2 values, 13 variables for HP‐CePdSn. The structural chemistry of both modifications is goverened by platinum centered trigonal prisms. The platinum and tin atoms in NP‐CePdSn and HP‐CePdSn build up a three‐dimensional [PdSn] network in which the cerium atoms fill channels. Susceptibility measurements on HP‐CePdSn reveal an experimental magnetic moment of 2.55(1) μB/Ce atom in the paramagnetic region. At 5 K a paramagnetic‐to‐antiferromagnetic transition is evident from magnetization and specific heat measurements. 相似文献
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Matthias Weil PD Dr. 《无机化学与普通化学杂志》2007,633(8):1217-1222
Single crystals of a third modification of Ag2Te2O6 (denoted as Ag2Te2O6–III) and of Ag4TeO5 have been obtained as minor by‐products during hydrothermal phase formation experiments in the system Ag‐Hg‐Te‐O. The crystal structure of Ag2Te2O6–III (P21/c, Z = 4, a = 6.4255(10), b = 6.9852(11), c = 13.204(2) Å, β = 90.090(3)°, 1885 independent reflections, R[F2 > 2σ(F2)] = 0.0334, wR2(F2 all) = 0.0817) comprises tellurium in oxidation states +IV and +VI and is topologically related to the structure of the Ag2Te2O6–I modification, which consists of similar layers and interjacent layers of Ag+ cations. Ag4TeO5 (C2/c, Z = 8, a = 16.271(2), b = 6.0874(10), c = 11.4373(16) Å, β = 106.730(10)°, 2372 independent reflections, R[F2 > 2σ(F2)] = 0.0288, wR2(F2 all) = 0.0737) is made up of a layer‐like arrangement of isolated [TeVI2O10] double octahedra and of Ag+ cations situated both in layers parallel and inside the layers of the anionic moieties. 相似文献
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Dr. Dominique Bruns Dr. Daniel Merk Dr. Karthiga Santhana Kumar PD Dr. Martin Baumgartner Prof. Dr. Gisbert Schneider 《ChemistryOpen》2019,8(10):1303-1308
Constructive machine learning aims to create examples from its learned domain which are likely to exhibit similar properties. Here, a recurrent neural network was trained with the chemical structures of known cell-migration modulators. This machine learning model was used to generate new molecules that mimic the training compounds. Two top-scoring designs were synthesized, and tested for functional activity in a phenotypic spheroid cell migration assay. These computationally generated small molecules significantly increased the migration of medulloblastoma cells. The results further corroborate the applicability of constructive machine learning to the de novo design of druglike molecules with desired properties. 相似文献
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Katrin Meier Raul Cardoso‐Gil Ulrich Burkhardt Caroline Curfs Michael Hanfland Yuri Grin PD Dr. Ulrich Schwarz 《无机化学与普通化学杂志》2012,638(10):1446-1451
The rare‐earth metal germanides RE2Ge9 (RE = Nd, Sm) have been prepared by thermal decomposition of the metastable high‐pressure phases REGe5 at ambient pressure. The compounds adopt an orthorhombic unit cell with a = 396.34(4) pm; b = 954.05(8) pm and c = 1238.4(1) pm for Nd2Ge9 and a = 395.46(7) pm; b = 946.4(2) pm and c = 1232.1(3) pm for Sm2Ge9. Crystal structure refinements reveal space group Pmmn (No. 59) for Nd2Ge9. The atomic pattern resembles an ordered defect variety of the pentagermanide motif REGe5 (RE = La; Nd, Sm, Gd, Tb) comprising corrugated germanium layers. These condense into a three‐dimensional network interconnected by eight‐coordinated germanium atoms. The resulting framework channels along [100] enclose the neodymium atoms. With respect to the atomic arrangement of the pentagermanides, half of the interlayer germanium atoms are eliminated in an ordered way so that occupied and empty germanium columns alternate along [001]. The rare‐earth metal atoms of both types of compounds, REGe5 and RE2Ge9, exhibit the electronic states 4f 3 and 4f 5 (oxidation state +3) for neodymium and samarium, respectively, evidencing that the modification of the germanium network leaves the electron configuration of the metal atoms unaffected. 相似文献
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Zusammenfassung Es kann gezeigt werden, daß sich im Außenhandelsmodell vonMorgenstern/ Thompson gewisse Aussagen nicht unbedingt als Resultate aus dem vorgeschlagenen Axiomensystem ergeben. Werden diese Aussagen in das Axiomensystem aufgenommen, so bleibt das System unabhängig.
Summary In the Open Expanding Economy Model ofMorgenstern/Thompson it can be shown that some of the statements do not follow from the axioms. Adding these statements to the given system of axioms the new system is still independent.相似文献
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Frontispiece: Electrochemiluminescence Bioassays with a Water‐Soluble Luminol Derivative Can Outperform Fluorescence Assays
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