K
Kyrill Yu. Suponitsky
Researcher at A. N. Nesmeyanov Institute of Organoelement Compounds
Publications - 196
Citations - 2971
Kyrill Yu. Suponitsky is an academic researcher from A. N. Nesmeyanov Institute of Organoelement Compounds. The author has contributed to research in topics: Chemistry & Carborane. The author has an hindex of 28, co-authored 175 publications receiving 2340 citations. Previous affiliations of Kyrill Yu. Suponitsky include Russian Academy & Semenov Institute of Chemical Physics.
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Applicability of hybrid density functional theory methods to calculation of molecular hyperpolarizability.
TL;DR: It is shown that the use of planar geometry constraints for the molecules, which can somewhat deviate from planarity in the gas phase, leads to sufficient accuracy of predicted values, and is proposed to use the scaled BMK results for prediction of molecular hyperpolarizability at semiquantitative level of accuracy.
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Electronic Hyperpolarizabilities for Donor−Acceptor Molecules with Long Conjugated Bridges: Calculations versus Experiment
TL;DR: It is found that two DFT functionals with the larger fraction of Hartree-Fock exchange (BMK and especially M05-2X) provide the best agreement to the experiment, comparable to that of the MP2 method.
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Supramolecular step in design of nonlinear optical materials: Effect of π…π stacking aggregation on hyperpolarizability
TL;DR: This work focused on the stacking aggregates, including up to 12 model molecules, and observed enhancement and suppression of molecular hyperpolarizability relative to the additive sum and proposed electrostatic approach which accounts for the mutual polarization of the molecules by each other.
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Bipyrazole bearing ten nitro groups – a novel highly dense oxidizer for forward-looking rocket propulsions
Igor L. Dalinger,Kyrill Yu. Suponitsky,Tatyana K. Shkineva,David B. Lempert,Aleksei B. Sheremetev +4 more
TL;DR: In this paper, a novel oxygen-rich energetic material, 4,4′,5,5′-tetranitro-2,2′-bis(trinitromethyl)-2H, 2′H-3,3′-bipyrazole (11), was obtained by N-alkylation of 4, 4′, 5,5-5′ -tetransitro with bromoacetone and subsequent nitration.
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Novel Highly Energetic Pyrazoles: N-Trinitromethyl-Substituted Nitropyrazoles.
Igor L. Dalinger,Irina A. Vatsadze,Tatyana K. Shkineva,Alexandr V. Kormanov,Marina I. Struchkova,Kyrill Yu. Suponitsky,Anatoly A. Bragin,Konstantin A. Monogarov,Valery P. Sinditskii,Aleksei B. Sheremetev +9 more
TL;DR: The new pyrazoles exhibit positive oxygen balance and are promising candidates for new environmentally benign energetic materials.