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Приказ резултата 3771-3780 од 4747
Density Functional Theory for the Study of the Multimode Jahn-Teller Effect
(Swiss Chemical Society, 2010)
The Jahn-Teller (JT) theorem states that in a molecule with a degenerate electronic state, a structural distortion must occur that lowers the symmetry, removes the degeneracy and lowers the energy. The multideterminental-DFT ...
Humidity sensing properties of nanocrystalline pseudobrookite (Fe2TiO5) based thick films
(Elsevier, 2018)
Pseudobrookite based nanopowder was obtained by solid state synthesis of starting hematite and anatase nanopowders in the weight ratio 55:45. Structural and morphological properties were analyzed using X-ray diffraction ...
Synthesis, structures and magnetic properties of octahedral Co(III) complexes of heteroaromatic hydrazones with tetraisothiocyanato Co(II) anions
(Oxford : Pergamon-Elsevier Science Ltd, 2018)
Octahedral Co(III) complexes with heteroaromatic hydrazones ((E)-N,N,N-trimethyl-2-oxo-2-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)ethan-1-aminium chloride and (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide) ...
Crystal structures and DFT calculations of mixed chloride-azide zinc(II) and chloride-isocyanate cadmium(II) complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent
(Elsevier, 2018)
The mixed chloride-azide [ZnL(N-3)(1.65)Cl-0.35] (1) and chloride-isocyanate [CdL(NCO)(1.64)Cl-0.36] (2) complexes with the condensation product of 2-quinolinecarboxaldehyde and trimethylammonium aceto-hydrazide chloride ...
Chemical modification of Art v 1, a major mugwort pollen allergen, by cis-aconitylation and citraconylation / Hemijske modifikacije Art v 1, glavnog alergena Artemisia vulgaris, cis-akonitilovanjem i citrakonilovanjem
(Belgrade : Serbian Chemical Society, 2009)
Art v 1 is the major allergen of mugwort (Artemisia vulgaris) pollen, a significant cause of hay fever all over Europe. Specific immunotherapy is the only treatment modality for allergic disease. Application of modified ...
Synthesis, structure, and reactivity of secosteroids containing a medium‐sized ring. Part 32. Conformations and photochemical reactivity of some unsaturated 5,10‐secosteroidal ketones
(Wiley - VCH Verlag GmbH & Co, 1991)
UV irradiation of the unsaturated (E)‐5,10‐secosteroidal ketones 1 and 6 results, in addition to (E/Z)‐isomerization, in an intramolecular Pateino‐Büchi reaction and, in the case of 1, in transannular cyclization (along ...
Non-Destructive Evaluation of the AISI 304 Stainless Steel Susceptibility to Intergranular Corrosion by Electrical Conductivity Measurements
(Springer NatureThe Korean Institute of Metals and Materials, 2023)
This paper examined the degree of sensitization (DOS) to intergranular corrosion (IGC) and the level of electrical conductivity of the welded and non-welded AISI 304 stainless steel to obtain a suitable correlation. The ...
Terpene relationships among some soft and hard pine species / Terpenski odnosi između nekih mekih i tvrdih borova
(Belgrade : Institute of Botany and Botanical Garden "Jevremovac", 2022)
In this study we have reported the chemical composition of the essential oils obtained from the needles of twelve Pinus taxa, belonging to the subgenera Pinus (sections Pinus and Trifoliae) and Strobus (sect. Quinquefoliae). ...
Mono BN-substituted analogues of naphthalene: a theoretical analysis of the effect of BN position on stability, aromaticity and frontier orbital energies
(Royal Soc Chemistry, Cambridge, 2018)
All isomeric BN isosteres of naphthalene have been studied theoretically, at the B3LYP/6-311+G(d,p) level, in order to investigate the effect of the BN position in a molecule on relative stability, aromaticity and frontier ...
Unusual mode of reactivity of 2-alkylidene-4-oxothiazolidine S-oxides under the Pummerer reaction conditions
(Oxford : Pergamon-Elsevier Science Ltd, 2013)
The reactivity of 2-alkylidene-4-oxothiazolidine S-oxides under the Pummerer reaction conditions, using Ac2O, TFAA, SOCl2 and SOBr2 as initiators, has been examined. Almost all reactions proceeded with absolute regioselectivity ...