Search Results - "Kiselev, Vitaly G."

The Nature of the Enthalpy-Entropy Compensation and "Exotic" Arrhenius Parameters in the Denaturation Kinetics of Proteins by Baklanov, Alexey V, Kiselev, Vitaly G

“…Protein unfolding is a ubiquitous process responsible for the loss of protein functionality (denaturation), which, in turn, can be accompanied by the death of…”
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Thin films of fluorinated 3d-metal phthalocyanines as chemical sensors of ammonia: An optical spectroscopy study by Basova, Tamara V., Mikhaleva, Natalia S., Hassan, Aseel K., Kiselev, Vitaly G.

“…•The sensor response of fluorinated phthalocyanines of 3d-metals (Cu(II), Co(II), Ni(II), Zn(II)) toward NH3 was studied using surface plasmon resonance…”
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Nitro-, Cyano-, and Methylfuroxans, and Their Bis-Derivatives: From Green Primary to Melt-Cast Explosives by Larin, Alexander A, Bystrov, Dmitry M, Fershtat, Leonid L, Konnov, Alexey A, Makhova, Nina N, Monogarov, Konstantin A, Meerov, Dmitry B, Melnikov, Igor N, Pivkina, Alla N, Kiselev, Vitaly G, Muravyev, Nikita V

“…In the present work, we studied in detail the thermochemistry, thermal stability, mechanical sensitivity, and detonation performance for 20 nitro-, cyano-, and…”
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Thermochemistry, Tautomerism, and Thermal Stability of 5,7-Dinitrobenzotriazoles by Melnikov, Igor N, Kiselev, Vitaly G, Dalinger, Igor L, Starosotnikov, Alexey M, Muravyev, Nikita V, Pivkina, Alla N

“…Nitro derivatives of benzotriazoles are safe energetic materials with remarkable thermal stability. In the present study, we report on the kinetics and…”
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Decomposition Pathways of Titanium Isopropoxide Ti(OiPr)4: New Insights from UV-Photodissociation Experiments and Quantum Chemical Calculations by Ershov, Kirill S, Kochubei, Sergei A, Kiselev, Vitaly G, Baklanov, Alexey V

“…The UV-photodissociation at 266 nm of a widely used TiO2 precursor, titanium tetraisopropoxide (Ti­(OiPr)4, TTIP), was studied under molecular-beam conditions…”
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Energetic [1,2,5]oxadiazolo [2,3- a ]pyrimidin-8-ium Perchlorates: Synthesis and Characterization by Strizhenko, Kirill V, Smirnova, Anastasia D, Filatov, Sergei A, Sinditskii, Valery P, Stash, Adam I, Suponitsky, Kyrill Yu, Monogarov, Konstantin A, Kiselev, Vitaly G, Sheremetev, Aleksei B

“…A convenient method to access the above perchlorates has been developed, based on the cyclocondensation of 3-aminofurazans with 1,3-diketones in the presence…”
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Synthesis, Characterization, and Properties of High-Energy Fillers Derived from Nitroisobutylglycerol by Rzhevskiy, Sergey A, Minaeva, Lidiya I, Topchiy, Maxim A, Melnikov, Igor N, Kiselev, Vitaly G, Pivkina, Alla N, Fomenkov, Igor V, Asachenko, Andrey F

“…Herein we report a comprehensive laboratory synthesis of a series of energetic azidonitrate derivatives (ANDP, SMX, AMDNNM, NIBTN, NPN,…”
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Experimental and theoretical investigation of vibrational spectra of copper phthalocyanine: polarized single-crystal Raman spectra, isotope effect and DFT calculations by Basova, Tamara V., Kiselev, Vitaly G., Schuster, Britt-Elfriede, Peisert, Heiko, Chassé, Thomas

“…The IR‐ and Raman spectra of copper phthalocyanine (CuPc), as well as the isotopic wavenumber shifts upon 15N substitution in CuPc, were investigated…”
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Optical Spectroscopy and XRD Study of Molecular Orientation, Polymorphism, and Phase Transitions in Fluorinated Vanadyl Phthalocyanine Thin Films by Basova, Tamara V, Kiselev, Vitaly G, Dubkov, Ilya S, Latteyer, Florian, Gromilov, Sergei A, Peisert, Heiko, Chassè, Thomas

“…The molecular arrangement and phase transitions in the vanadyl hexadecafluorophthalocyanine (VOPcF16) thin films grown by physical vapor deposition have been…”
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Fast Reactions of Hydroxycarbenes: Tunneling Effect versus Bimolecular Processes by Kiselev, Vitaly G, Swinnen, Saartje, Nguyen, Vinh Son, Gritsan, Nina P, Nguyen, Minh Tho

“…Different uni- and bimolecular reactions of hydroxymethylene, an important intermediate in the photochemistry of formaldehyde, as well as its halogenated…”
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Accurate Prediction of Bond Dissociation Energies and Barrier Heights for High-Energy Caged Nitro and Nitroamino Compounds Using a Coupled Cluster Theory by Kiselev, Vitaly G, Goldsmith, C. Franklin

“…Highly accurate theoretical values of bond energies and activation barriers of primary decomposition reactions are crucial for reliable predictions of thermal…”
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Accurate Thermochemistry of Novel Energetic Fused Tricyclic 1,2,3,4-Tetrazine Nitro Derivatives from Local Coupled Cluster Methods by Kiselev, Vitaly G, Goldsmith, C. Franklin

“…Highly accurate theoretical values of formation enthalpies and bond energies are crucial for reliable predictions of performance and detonation-related…”
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Unexpected Primary Reactions for Thermolysis of 1,1-Diamino-2,2-dinitroethylene (FOX-7) Revealed by ab Initio Calculations by Kiselev, Vitaly G, Gritsan, Nina P

“…The primary thermolysis reactions of a promising insensitive explosive 1,1-diamino-2,2-dinitroethylene (DADNE, FOX-7) have been studied in the gas phase at a…”
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New Mechanistic Insights into the Primary Thermolysis Reactions of 1,3,4,6-Tetranitrooctahydroimidazo-[4,5‑d]imidazole (BCHMX) from Predictive Local Coupled Cluster Calculations by Melnikov, Igor N., Pivkina, Alla N., Kiselev, Vitaly G.

“…Theoretical studies of the decomposition mechanism of energetic materials quite often scrutinize only the primary thermolysis reactions. However, the secondary…”
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Metal-Free Reversible Double Cyclization of Cyanuric Diazide to an Asymmetric Bitetrazolate via Cleavage of the Six-Membered Aromatic Ring by Vaddypally, Shivaiah, Byrne, Alex N., Goldsmith, C. Franklin, Zdilla, Michael J., Kiselev, Vitaly G.

“…Crystallization of the reaction mixture of 2-amino-4,6-diazido-1,3,5-triazine and excess tert-butylamine results in the isolation of tert-butylammonium…”
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Thermal Stability of Bis-Tetrazole and Bis-Triazole Derivatives with Long Catenated Nitrogen Chains: Quantitative Insights from High-Level Quantum Chemical Calculations by Gorn, Margarita V, Gritsan, Nina P, Goldsmith, C. Franklin, Kiselev, Vitaly G

“…Azobis tetrazole and triazole derivatives containing long catenated nitrogen atom chains are of great interest as promising green energetic materials. However,…”
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Pressure DSC for energetic materials. Part 2. Switching between evaporation and thermal decomposition of 3,5-dinitropyrazole by Gorn, Margarita V., Monogarov, Konstantin A., Dalinger, Igor L., Melnikov, Igor N., Kiselev, Vitaly G., Muravyev, Nikita V.

“…[Display omitted] •Thermolysis and vaporization of 3,5-dinitropyrazole were disentangled in pressure DSC.•Both 2 and 5 MPa DSC datasets were described by…”
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Tetraoctylthio- and tetraoctyloxy-substituted lead phthalocyanines: Synthesis, characterization, liquid-crystalline properties, and thin film studies by Tuncel, Sinem, Basova, Tamara V., Kiselev, Vitaly G., Gromilov, Sergei A., Jushina, Irina V., Durmuş, Mahmut, Gürek, Ayşe G., Ahsen, Vefa

“…Peripherally and nonperipherally tetrakisoctylthio- and tetrakisoctyloxy-substituted lead(II) phthalocyanines (PbPcs) were synthesized and characterized using…”
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Another look at energetically quasi‐degenerate structures of the gold cluster Au27q with q = 1, 0, −1 by Nhat, Pham Vu, Si, Nguyen Thanh, Kiselev, Vitaly G., Nguyen, Minh Tho

“…Quantum chemical computations were used to reinvestigate the geometries, spectroscopic, and energetic properties of the gold clusters Au27q in three charge…”
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Thermochemistry, Tautomerism, and Thermal Decomposition of 1,5-Diaminotetrazole: A High-Level ab Initio Study by Shakhova, Margarita V, Muravyev, Nikita V, Gritsan, Nina P, Kiselev, Vitaly G

“…Thermochemistry, kinetics, and mechanism of thermal decomposition of 1,5-diaminotetrazole (DAT), a widely used “building block” of nitrogen-rich energetic…”
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