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1.
Computing the Szeged index
Janez Žerovnik, 1996, original scientific article

Abstract: We give an explicit algorithm for computing the Szeged index of a graph which runs in ▫$O(mn)$▫ time, where ▫$n$▫ is the number of nodes and ▫$m$▫ is the number of edges.
Keywords: mathematics, chemistry, chemical graph theory, molecular graphs, structural formulae, algorithms, topological index, Szeged index
Published: 05.07.2017; Views: 286; Downloads: 52
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2.
The crystal and molecular structures of two reaction products of geminal dicyano oxirane with thiohydantoine (compound I) and thioxobenzoxazole (compound II)
Ivan Leban, Alenka Majcen Le Marechal, Albert Robert, 1993, original scientific article

Abstract: The crystal and molecular structures of two reaction products of geminal dicyano oxiranes with thiohydantoione and thioxobenzoxazole have been determinated from ▫$Mo-K_\alpha$▫ X-ray diffraction data. The two reaction products were: 2H-2-(p-tolyl)-imidazol[1,2-b]thiazole-3,6-dione (compound I) and Z-3-benzoxazole-3-phenyl-2-oxo-2-propanenitrile (compound II) with the following crystal data at 293(1) K: Compound I, ▫$C_{12}H_{10}N_2O_2S$▫, monoclinic ▫$P2_1/c$▫, a=15057(3), b=5.200(3), c=14.724(4) Å, ▫$\beta=104.24(3)°$▫, Z=4; final R and ▫$R_w$▫ values were 0.034 and 0.049 for1647 observed reflexions. Compound II, ▫$C_{16}H{10}N_2O_2$▫, monoclinic, ▫$P2_1/n$▫, a=14.396(3), b=4.326(1), c=21.335(4) Å, ▫$\beta-107.79(1)°$▫, Z=4;final R and ▫$R_w$▫ values 0.040 and 0.053 for 1516 observed reflections.
Keywords: organic chemistry, crystal structure, chemical reactions, oxiranes, coordination compounds, structural chemistry
Published: 05.07.2017; Views: 415; Downloads: 38
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3.
Synthesis and characterisation of hydroxylammonium fluorochromate
Matjaž Kristl, Mihael Drofenik, Ljubo Golič, Amalija Golobič, 2003, original scientific article

Abstract: Reactions in the system $Cr – NH_3OHF – HF – H_2O$ were investigated. Green crystals of a new compound with the formula $(NH_3OH)_3CrF_6$ have been isolated from the water solution and characterized by chemical analysis. The compound crystallizes as triclinic, P-1, with cell parameters: a = 6.5461(2) Å, b = 6.9347(2) Å, c = 9.4072(3) Å, α = 86.772(1)°, β = 83.804(1)°, γ = 70.283(1)°. The effective magnetic moment, $µ_{eff}$ = 3.82 BM, was calculated from magnetic susceptibility measurements in the temperature range 80-290 K. The thermal decomposition of the compound was studied by TG and DSC analysis. $(NH_3OH)_3CrF_6$ decomposes above 125 °C in three steps and the residue has been identified by X-ray powder diffraction as $α – Cr_2O_3$.
Keywords: inorganic chemistry, structural chemistry, crystalline structure, coordination compounds, synthesis, inorganic reactions, thermal decomposition, characterization of compounds, TG, DSC, X-ray diffraction, chromium complexes, hydroxylammonium fluoro chromates, crystals
Published: 25.08.2017; Views: 600; Downloads: 55
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