Expanding the Limits of Organic Energetic Materials: High-Performance Alliance of 1,3,4-Thiadiazole and Furazan Scaffolds

Deltsov I.; Ivan V. Ananyev; Meerov D.; Leonid L. Fershtat

doi:10.1021/acs.joc.3c01858

Публикации

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Expanding the Limits of Organic Energetic Materials: High-Performance Alliance of 1,3,4-Thiadiazole and Furazan Scaffolds

Journal of Organic Chemistry. 2023. Vol. 89. No. 1. P. 174–182.

Deltsov I., Ivan V. Ananyev, Meerov D., Leonid L. Fershtat

Научное направление: Химия

Язык: английский

DOI

Ключевые слова: crystal structure energetic materials thiadiazole

Stress tensor of inhomogeneous flexible polymer chain solutions beyond the ground-state dominance approximation

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Белоусов Ю. А., Кискин М. А., Сидорук А. В. и др., Australian Journal of Chemistry 2022 Vol. 75 No. 9 P. 572–580

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Мазур Д. А., Petr E. Brandyshev, Doronin S. и др., Electrochimica Acta 2026 Vol. 577 Article 149729

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Будков Ю. А., Каликин Н. Н., Journal of Chemical Physics 2026 Vol. 165 Article 064506

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Charge-controlled binding, alloy synergy, and the copper anomaly in Au–Ag–Cu dimers to clusters: DFT-derived design rules for targeted drug delivery

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Surface-sulfonated Al₂O₃, CeO₂, and TiO₂ as functional fillers for Nafion-type gel polymer electrolytes for lithium metal batteries

Voropaeva D., S. Novikova, I. Stenina и др., Solid State Ionics 2026 Vol. 445 Article 117288

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Long-range machine-learning potentials with environment-dependent charges enable predicting LO-TO splitting and dielectric constants

Korogod D., Shapeev A., Ivan S. Novikov, Physical Review B: Condensed Matter and Materials Physics 2026 Vol. 114 No. 2 Article 024104

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A Way to Create Mn-Containing GdFe3(BO3)4 and the Dopant Effect on Its Magnetic Properties

Moshkina E., Molokeev M., Zolotov A. и др., Journal of Alloys and Compounds 2026 Vol. 1077 Article 189412

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Incorporating Scientific Knowledge into Neural Network Density Functionals

Schneider M., Zaripov D., Dokin R. и др., Journal of Chemical Theory and Computation 2026 Vol. 22 No. 9 P. 4405–4414

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Electrodeposition and electrochromic properties of hydrated mixed oxides MoxW1-xO3·2H2O films

Лауринавичюте В. К., Levin E. E., Mironkova A. A. и др., Surfaces and Interfaces 2026 Vol. 81 Article 108389

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Impact of heat treatment on microstructure and mechanical properties of additively manufactured aluminum bronze

Filippova A. V., Yurchenko N. Y., Smirnov S. A. и др., Journal of Alloys and Compounds 2026 No. 1074 Article 189162

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DFT-guided charge-state engineering of gold clusters for levodopa recognition: fundamental principles for drug delivery applications

Obijiofor O., Новиков А. С., New Journal of Chemistry 2026 Vol. 50 No. 23 P. 9749–9768

Rational design of gold-based nanocarriers for neurotherapeutics requires atomic-scale understanding of drug-material interactions. Density functional theory calculations were performed to investigate levodopa (L-DOPA) adsorption on small gold clusters (Au2–Au4) with cationic, neutral, and anionic charges, with additional validation on a larger Au10 cluster using multiple low-energy isomers. Binding free energies (ΔGbind), charge transfer, and electronic descriptors ...

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Facile and Green Approach to Synthesize Biomass-Derived Zero-/Two-Dimensional Carbon Dots/g-C3N4 Heterojunction for Efficient Photocatalytic and Photoelectrocatalytic Applications

Дас А., Saikia J., Maji N. и др., ChemNanoMat 2026 Vol. 12 No. 5 Article e202500733

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Optimal Design of Copper-Doped ZnO Heterostructures for Photocatalytic and Photoeletrochemical Performance: A Combined Experimental and DFT Study

Wary R. R., Mahato B., Sharma N. и др., The Journal of Physical Chemistry Letters 2026 Vol. 17 No. 17 P. 5099–5107

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Salts of Tetraselenatetracene and Bis(ethylenedithio)tetrathiafulvalene with Metal Hexafluoroacetylacetonate Anions: MnII(hfac)₃⁻, CoII(hfac)₂Cl⁻, and PrIII(hfac)₄⁻

Кузьмин А. В., Flakina A., Nazarov D. и др., Crystal Growth & Design 2025 Vol. 25 P. 6332 –6344

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Polymorphism and Crystallization of Sodium Acetate

Kalle P., Беззубов С. И., Vener M. и др., Crystal Growth & Design 2025 Vol. 25 No. 20 P. 8658–8664

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Single-Ion Magnetism of the [DyIII(hfac)4]− Anions in the Crystalline Semiconductor {TSeT1.5}●+[DyIII(hfac)4]− Containing Weakly Dimerized Stacks of Tetraselenatetracene

Flakina A., Nazarov D., Faraonov M. и др., International Journal of Molecular Sciences 2024 Т. 25 № 25 С. 8068

Окисление тетраселенатетрацена (TSeT) тетрацианохинодиметаном в присутствии трис(гексафторацетилацетоната) диспрозия(III), DyIII(hfac)3, приводит к образованию черных кристаллов соли {TSeT1.5}.+[DyIII(hfac)4]− (1), которая сочетает в себе проводящие и магнитные подрешетки. Она содержит одномерные стопки, состоящие из частично окисленных молекул TSeT (формальный усредненный заряд равен +2/3). Димеры и мономеры могут быть выделены внутри этих стопок с перераспределением заряда и спиновой плотности. ...

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Synthesis and crystal structure of the pyridinium acid nitrate [(PyH)2(NO3)][H2(NO3)3] containing a dihydrogen trinitrate anion

Vorobyova A., Shilov A. I., Boltalin A. I. и др., Mendeleev Communications 2021 Vol. 31 No. 3 P. 356–358

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Co(NO3)2 as an inverted umbrella-type chiral noncoplanar ferrimagnet

Danilovich I. L., Deeva E. B., Bukhteev K. Y. и др., Physical Review B: Condensed Matter and Materials Physics 2020 Vol. 102 No. 9 P. 0

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4-Methylpyridinium Bismuth(III) Halides

Petr A. Buikin, Ivan S. Lunkov, Ilyukhin A. и др., Polyhedron 2024 Vol. 264 Article 117223

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Solid Solutions of Pyridinium Halobismuthates

Буйкин П. А., Zhavoronkov A. S., Ilyukhin A. B. и др., Russian Journal of Inorganic Chemistry 2024 Vol. 69 No. 2 P. 172–177

Solid solutions of pyridinium bromo-iodobismutates were isolated from aqueous solutions and structurally characterized. The composition of the resulting solid solutions [HPy]BiX4 and [HPy]3Bi2X9 (X = Br, I) was found to depend on the ratios of pyridinium/bismuth and bromine/iodine in the initial solution. The existence of five polymorphic modifications in the system for [HPy]BiX4 compounds was ...

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Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(III) halides

Ekaterina M. Dudko, Petr A. Buikin, Ilyukhin A. и др., CrystEngComm 2024 Vol. 26 P. 3490–3500

Eight new solvates of 1,1'-(1,4-phenylenebis(methylene))bis(1-pyridinium)) hybrid halobismuthates were obtained from the dimethyl sulfoxide (DMSO) and dimethylformamide (DMF) solutions and structurally characterized. The thermal stability of the solvates was studied using TGA/DSC methods and the appropriate conditions for the solvent molecules loss were defined. As a result, five new hybrid halobismuthates were prepared by the thermal ...

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(Cyclopentadienyl)neodymium borohydrides with auxiliary N3-heterocyclic ligands

Guzelia I. Sadrtdinova, Daniil A. Bardonov, Konstantin A. Lyssenko и др., Mendeleev Communications 2023 Vol. 33 No. 3 P. 357–359

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Khakimov D., Leonid L. Fershtat, Pivina T., Physical Chemistry Chemical Physics 2023 Vol. 25 No. 46 P. 32071–32077

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