Search Results - "Fedorova, Irina V."

Ab Initio Study of Structural Features and H‑Bonding in Alkylammonium-Based Protic Ionic Liquids by Fedorova, Irina V, Krestyaninov, Michael A, Safonova, Lyubov P

“…The structural and energetic characteristics of protic ionic liquids (PILs) based on ethyl-, diethyl-, or triethylammonium cations with anions of phosphorus,…”
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Transmission and Reflection Spectra of a Bragg Microcavity Filled with a Periodic Graphene-Containing Structure by Fedorova, Irina V., Eliseeva, Svetlana V., Sementsov, Dmitrij I.

“…The transmission and reflection spectra of a one-dimensional microresonator structure with dielectric Bragg mirrors, the working cavity of which is filled with…”
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Tailoring Photoprotection of Polylactide with New Isobornyl Derivatives of Phenol and Aniline by Belyi, Vladimir A, Kuzivanov, Ivan M, Fedorova, Irina V, Shumova, Olga A, Tropnikov, Evgeniy M, Istomina, Elena I, Chukicheva, Irina Yu, Kuchin, Aleksandr V

“…This article is devoted to the development of new photostabilizers for polylactide (PLA), a polymer that is an environmentally friendly alternative to polymers…”
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Spectra of a Bragg Microresonator Filled with a Graphene-Containing Medium by Fedorova, Irina V., Eliseeva, Svetlana V., Sementsov, Dmitrij I.

“…Transmission spectra of a symmetric microresonator structure, with dielectric Bragg mirrors, are obtained. The working cavity of the structure is partially…”
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Environmental aspects of molecular composition of humic acids isolated from lake sediments of a permafrost-affected area of the Arctic by Guzeva, Alina V., Krylova, Ekaterina A., Fedorova, Irina V.

“…Humic substances are ubiquitous in terrestrial and aquatic ecosystems. Humic acids (HAs) actively interact with organic and inorganic components of lake…”
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Photon Spectra of a Bragg Microresonator with Bigyrotropic Filling by Eliseeva, Svetlana V., Fedorova, Irina V., Sementsov, Dmitry I.

“…In this article, we have obtained the transmission spectra of a microresonator structure with Bragg mirrors, the working cavity of which is filled with a…”
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Ab Initio Investigation of the Interionic Interactions in Triethylammonium-Based Protic Ionic Liquids: The Role of Anions in the Formation of Ion Pair and Hydrogen Bonded Structure by Fedorova, Irina V, Safonova, Lyubov P

“…The results of structural analysis and cation–anion interactions of 10 ion pairs and their relevance for the physicochemical properties of…”
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Ion Pair Structures and Hydrogen Bonding in RnNH4-n Alkylammonium Ionic Liquids with Hydrogen Sulfate and Mesylate Anions by DFT Computations by Fedorova, Irina V, Safonova, Lyubov P

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“Unsuitable for Printing”: On the Principles of Selecting Pilgrimage Notes for Publication by Fedorova, Irina V.

“…In the last two decades, domestic science has been enriched by a corpus of works describing pilgrimages to the Holy Land in the 19th – early 20th centuries…”
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The Nature of the Interactions in Triethanolammonium-Based Ionic Liquids. A Quantum Chemical Study by Fedorova, Irina V, Safonova, Lyubov P

“…Structural features and interionic interactions play a crucial role in determining the overall stability of ionic liquids and their physicochemical properties…”
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Proton transfer between sulfonic acids and various propylamines by density functional theory calculations by Fedorova, Irina V., Safonova, Lyubov P.

“…Context Proton transfer in acid–base systems is not well understood. Some acid–base reactions do not proceed to the extent that is expected from the difference…”
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Influence of Cation Size on the Structural Features and Interactions in Tertiary Alkylammonium Trifluoroacetates: A Density Functional Theory Investigation by Fedorova, Irina V, Safonova, Lyubov P

“…We present the results of electronic structure calculations based on density functional theory (DFT) in order to investigate the reactions of the interaction…”
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Quantum Chemical Modeling of the Structure and H Bonding in Triethanolammonium-Based Protic Ionic Liquids with Sulfonic Acids by Fedorova, Irina V, Safonova, Lyubov P

“…The results of electronic structure calculations based on density functional theory (DFT) for protic ionic liquids (PILs) consisting of triethanolammonium…”
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Ion Pair Structures and Hydrogen Bonding in R n NH 4- n Alkylammonium Ionic Liquids with Hydrogen Sulfate and Mesylate Anions by DFT Computations by Fedorova, Irina V, Safonova, Lyubov P

“…Density function theory calculations are employed to study the interaction of amines bearing different numbers of alkyl substituents of different sizes on the…”
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Structure of ethylammonium hydrogen sulfate protic ionic liquid through DFT calculations and MD simulations: the role of hydrogen bonds by Fedorova, Irina V., Krestyaninov, Mikhail A., Safonova, Lyubov P.

“…Understanding how structure and interactions between ions affect physicochemical properties is of great importance for the rational design, synthesis, and…”
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Alkylimidazolium Protic Ionic Liquids: Structural Features and Physicochemical Properties by Shmukler, Liudmila E., Fedorova, Irina V., Fadeeva, Yuliya A., Gruzdev, Matvey S., Safonova, Liubov P.

“…We focus on a series of protic ionic liquids (PILs) with imidazolium and alkylimidazolium (1R3HIm, R=methyl, ethyl, propyl, and butyl) cations. Using the…”
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Comparisons of NH…O and OH…O hydrogen bonds in various ethanolammonium–based protic ionic liquids by Fedorova, Irina V., Safonova, Lyubov P.

“…The effect of a number of terminal OH groups in tertiary ammonium cations (triethanolammonium, ethyldiethanolammonium, diethylethanolammonium, and…”
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Combined computational and experimental studies of tripropylammonium 2-sulfobenzoate protic ionic liquid by Fedorova, Irina V., Shmukler, Liudmila E., Fadeeva, Yuliya A., Gruzdev, Matvey S., Krestyaninov, Michail A., Safonova, Lyubov P.

“…We present the results of experimental and computational studies of the physicochemical properties and structure of a newly synthesized tripropylammonium…”
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On structure and properties of tripropylammonium-based protic ionic liquids with bis(trifluoromethylsulfonyl)imide and hydrogen sulfate anions by Fedorova, Irina V., Shmukler, Liudmila E., Fadeeva, Yuliya A., Gruzdev, Matvey S., Safonova, Liubov P.

“…We present a quantum chemical analysis of the structural and energetic characteristics of ion pairs that are most likely to be found in protic ionic liquids…”
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Novel Aminomethyl Derivatives of 4‐Methyl‐2‐prenylphenol: Synthesis and Antioxidant Properties by Buravlev, Evgeny V., Fedorova, Irina V., Shevchenko, Oksana G., Kutchin, Aleksandr V.

“…4‐Methyl‐2‐prenylphenol (1) was synthesized from para‐cresol and prenol, natural alcohol under the conditions of heterogeneous catalysis. A series of nine new…”
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