Theoretical insights into the properties of the borazine… X- complexes (X- = H, F, Cl, CN, NC or NCO) [PDF]
Journal of the Serbian Chemical Society, 2009 The character of the NH ...X- (X- = H, F, Cl, CN, NC or NCO) interactions of borazine with anions was studied using ab initio method. The interaction energies were calculated at the B3LYP/6-311++G(d,p) level.
Ghiasi Reza
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Interaction of Crizotinib (as an anti lung cancer drug) on Pure, Boron-Doped, and Carboxylated C60 Fullerene: Based on Density Functional Theory [PDF]
Journal of Water and Environmental Nanotechnology, 2020 Notwithstanding the enormous benefit of crizotinib, as anti lung cancer, severe toxicity as side effects are the main problem for this drug. In this research, the interaction of crizotinib over NH2 agent with C60 fullerene, boron-doped fullerene (C59B ...
Ashrafsadat Ghasemi +2 more
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Metastability of NbN in the ordered vacancy NbO phase [PDF]
Physical Review B, 1995 REVTeX, 11 pages, 4 Postscript ...
Ethridge, E. C. +2 more
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Synthesis, Characterisation, Crystal Structure, DFT, and Hirshfeld Surface Study of a Slightly Distorted Tetrahedral Zn(II) Complex Based on Triphenylphosphanol [PDF]
Iranian Journal of Chemistry & Chemical EngineeringAn intriguing novel complex, [ZnCl2(Ph3POH)2], containing two equivalents of triphenylphosphanol (Ph3POH), was synthesized by reacting anhydrous ZnCl2 with triphenylphosphine in methanol, yielding a dichlorobis(triphenylphosphanol)-zinc(II) complex with ...
Karwan Ali, Nabil Fakhre, Salim Saber
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Novel 1-(4-chlorophenyl)-3-(2-ethoxyphenyl)triazene ligand: Synthesis, X-ray crystallographic studies, spectroscopic characterization and DFT calculations [PDF]
Chemical Review and Letters, 2019 In the present work, a combined theoretical and experimental investigation on the properties of 1-(4-chlorophenyl)-3-(2-ethoxyphenyl)triazene is reported.
Fatemeh Valinia +2 more
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Nonbacterial and bacterial osteomyelitis in children: a case–control retrospective study
Frontiers in Pediatrics, 2023 PurposeOsteomyelitis is a group of bone infectious (bacterial osteomyeilitis—BO) and noninfectious inflammatory diseases (nonbacterial osteomyelitis—NBO) with similar clinical, radiology, and laboratory features.
Mikhail M. Kostik +5 more
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Catalysis Communications, 2023 A simple co-precipitation method has been developed to synthesize Nb2O5/reduced graphene oxide nanocomposite (NbO/RGO). The effect of various % of strontium doping on NbO/RGO was studied.
K. Yogesh Kumar +6 more
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Theoretical and Experimental Aspects of Current and Future Research on NbO2 Thin Film Devices
Crystals, 2021 The present research front of NbO2 based memory, energy generation, and storage thin film devices is reviewed. Sputtering plasmas contain NbO, NbO2, and NbO3 clusters, affecting nucleation and growth of NbO2, often leading to a formation of nanorods and ...
Denis Music +2 more
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Hittite Journal of Science and Engineering, 2023 In this study, theoretic analyses were executed on the optimized geometric structure of 3-(6-(3-aminophenyl)thiazolo[3,2-b][1.2.4]triazol-2-yl)-2H-chromen-2-one (ATTC). The basis sets for these theoretical research were B3LYP/DGDZVP and B3LYP/6-311G(d,p).
Ümit Yıldıko +2 more
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A Cubic 3D Covalent Organic Framework with nbo Topology [PDF]
Journal of the American Chemical Society, 2021 The synthesis of three-dimensional (3D) covalent organic frameworks (COFs) requires high-connectivity polyhedral building blocks or the controlled alignment of building blocks. Here, we use the latter strategy to assemble square-planar cobalt(II) phthalocyanine (PcCo) units into the nbo topology by using tetrahedral spiroborate (SPB) linkages that were
Xue Wang +10 more
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