Предварительный просмотр | Дата выпуска | Заглавие | Автор(ы) |
| 2022 | DFT Simulation of Cortisone-Fullerenol Agents in the Therapy of Oncological Diseases | Dikusar, E. A.; Pushkarchuk, A. L.; Bezyazychnaya, T. V.; Akishina, E. A.; Potkin, V. I.; Soldatov, A. G.; Kutsen, S. A.; Stepin, S. G.; Nizovtsev, A. P.; Kilin, S. Ya.; Babichev, L. F. |
| 2022 | DFT Simulation of Geometry and Electronic Structure of Fullerenol–Cisplatin Conjugate as Agent of Cancer Therapy | Pushkarchuk, A. L.; Bezyazychnaya, T. V.; Potkin, V. I.; Dikusar, E. A.; Soldatov, A. G.; Kilin, S. Ya.; Nizovtsev, A. P.; Kutsen, S. A.; Pushkarchuk, V. A.; Michels, D. L.; Lyakhov, D.; Kulchitsky, V. A. |
| 2018 | DFT Simulation of Supramolecular Structures Formed by Single-Walled Carbon Nanotubes and Cisplatin as Agent of Cancer Therapy | Pushkarchuk, A. L.; Bezyazychnaya, T. V.; Potkin, V. I.; Nizovtsev, A. P.; Kilin, S. Ya.; Soldatov, A. G.; Kuten, S. A.; Khrutchinsky, A. A.; Babichev, L. F. |
| 2021 | Influence of Structural, Electronic and Spin Properties of ND[NV] - Surface Group Conjugates on Formation of Their Biological Activity: Quantum Chemical Simulations | Pushkarchuk, A. L.; Kuten, S. A.; Kilin, S. Ya.; Nizovtsev, A. P.; Pushkarchuk, V. A.; Michels, D. L.; Lyakhov, D.; Jelezko, F. |
| 2011 | Molecular Mechanics Methods of Carbon Nanotubes Vibration Spectra with and without Molecules Incorporation | Pushkarchuk, A. L.; Khrutchinsky, A. A.; Kuten, S. A.; Pushkarchuk, V. A.; Nizovtsev, A. P.; Kilin, S. Ya.; Saad, A. M. |
| 2018 | Non-flipping 13C spins near an NV center in diamond: Hyperfine and spatial characteristics by density functional theory simulation of the C510[NV]H252 cluster | Nizovtsev, A. P.; Kilin, S. Y.; Pushkarchuk, A. L.; Pushkarchuk, V. A.; Kuten, S. A.; Zhikol, O. A.; Schmitt, S.; Unden, T.; Jelezko, F. |
| 2018 | PBMA–C60 Composite: Thermal Decomposition, Experiments in Mass-Spectrometer, and Quantum Chemical Modeling | Pozdnyakov, A. O.; Nikolaev, V. I.; Pushkarchuk, A. L.; Kuten, S. A.; Khrutchinsky, A. A. |
| 2021 | PMMA – C60 composite: thermal decomposition experiments in mass spectrometer and quantum chemical modeling | Pozdnyakov, A. O.; Pushkarchuk, A. L.; Kuten, S. A.; Babichev, L. F. |
| 2020 | Spatial and hyperfine characteristics of SiV– and SiV0 color centers in diamond: DFT simulation | Nizovtsev, A. P.; Kilin, S. Ya.; Pushkarchuk, A. L.; Kuten, S. A.; Poklonski, N. A.; Michels, D.; Lyakhov, D.; Jelezko, F. |
| 2018 | Use of density functional theory for modeling optical properties of vacancy defects in nanoclusters of various SiC polytypes | Zhikol, O. A.; Luzanov, A. V.; Omelchenko, I. V.; Pushkarchuk, A. L.; Pushkarchuk, V. A.; Nizovstev, A. P.; Kilin, S. Y.; Bezyazychnaya, T. V.; Kuten, S. A. |