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Predicting the solubility of gases, vapors, and supercritical fluids in amorphous polymers from electron density using convolutional neural networks

Polymer chemistry, 2024-03, Vol.15 (13), p.1273-1296

Gromov, Oleg I

2024

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Solute Diffusion into Polymer Swollen by Supercritical CO2 by High-Pressure Electron Paramagnetic Resonance Spectroscopy and Chromatography

Polymers, 2021-09, Vol.13 (18), p.3059

2021

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Performance of the DLPNO-CCSD and recent DFT methods in the calculation of isotropic and dipolar contributions to 14N hyperfine coupling constants of nitroxide radicals

Journal of molecular modeling, 2021-06, Vol.27 (6), p.194-194, Article 194

Gromov, Oleg I.

2021

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Correction to: Performance of the DLPNO-CCSD and recent DFT methods in the calculation of isotropic and dipolar contributions to 14 N hyperfine coupling constants of nitroxide radicals

Journal of molecular modeling, 2021, Vol.27 (10), p.298-298, Article 298

Gromov, Oleg I.

2021

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Performance of DFT methods in the calculation of isotropic and dipolar contributions to 14N hyperfine coupling constants of nitroxide radicals

Journal of molecular modeling, 2019, Vol.25 (4), p.1-10, Article 93

2019

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Thioureido Cymantrene Derivatives: Synthesis and Photochromic Properties

Organometallics, 2019-05, Vol.38 (10), p.2288-2297

2019

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Influence of solvent electron affinity on paramagnetic defects in hybrid Si/SiOx luminescent nanoparticles

Journal of nanoparticle research : an interdisciplinary forum for nanoscale science and technology, 2019-06, Vol.21 (6), p.1-11, Article 127

2019

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Peculiarities of Spin Exchange in Nitroxide Biradicals Containing Two para-Phenylene Groups in the Bridge: EPR Investigation and DFT Calculations

Applied magnetic resonance, 2016-11, Vol.47 (11), p.1283-1293

2016

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Cu(II)-Alkyl Chlorocomplexes: Stable Compounds or Transients? DFT Prediction of their Structure and EPR Parameters

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-07, Vol.115 (28), p.8147-8154

2011

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Quantum chemistry of organocuprates as intermediates of catalytic and photochemical reactions

International journal of quantum chemistry, 2016-02, Vol.116 (4), p.295-300

2016

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The Structure and EPR Behavior of Nitroxide Biradical Containing Phosphorus Atom in the Bridge

Applied magnetic resonance, 2015-12, Vol.46 (12), p.1429-1442

2015

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UV–Vis Identification and DFT-Assisted Prediction of Structures of Cu(II)–Alkyl Chlorocomplexes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-11, Vol.116 (47), p.11581-11585

2012

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Photochemical transformations of exo-2,3-norbornene oxide radical cations in the CF3CCl3 matrix at 77 K

Mendeleev communications, 2021-03, Vol.31 (2), p.154-156

2021

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PHOTOTRANSFORMATIONS OF 1,3-BUTADIENE DIEPOXIDE RADICAL CATIONS IN CF3ССl3 AT 77 K

Vestnik Moskovskogo universiteta. Seri︠i︡a II, Khimi︠i︡a, 2023-06, Vol.64 (3, 2023), p.238-244

2023

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Effect of Freon matrices on the intermediates stabilized in X-ray irradiated 1,7-dioxaspiro[5,5]undecane solutions at 77 K

Mendeleev communications, 2021-05, Vol.31 (3), p.343-346

2021

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Effect of Freon matrices on the intermediates stabilized in X-ray irradiated 1,7-dioxaspiro[5,5]undecane solutions at 77K

Mendeleev communications, 2021-05, Vol.31 (3), p.343-346

2021

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Photochemical transformations of exo-2,3-norbornene oxide radical cations in the CF3CCl3 matrix at 77K

Mendeleev communications, 2021-03, Vol.31 (2), p.154-156

2021

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Photoinduced deprotonation of cyclopentene oxide radical cations in low-temperature Freon matrices

Mendeleev communications, 2020-01, Vol.30 (1), p.67-69

2020

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Performance of DFT methods in the calculation of isotropic and dipolar contributions to 14 N hyperfine coupling constants of nitroxide radicals

Journal of molecular modeling, 2019-03, Vol.25 (4), p.93

2019

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Photochemistry of cyclohexene oxide radical cations in freonic matrices at 77 K

Mendeleev communications, 2018-11, Vol.28 (6), p.618-620

2018

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Cyclic form of the aziridine radical cation in a CF3CCl3 matrix at 77 K

Mendeleev communications, 2016-07, Vol.26 (4), p.332-334

2016

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Photoisomerization of methylthiirane radical cations in freonic matrices at 77 K

Mendeleev communications, 2017-09, Vol.27 (5), p.479-481

2017

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The use of a hydraulic electronic model to assess the functioning of the water supply network

E3S Web of Conferences, 2023, Vol.419, p.1013

2023

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Statistical Computational Model of Fission Products Composition of Irradiated Nuclear Fuel and Their Contribution to Gas-aerosol Emissions of Nuclear Power Plants

Romanian journal of information science and technology, 2024-09, Vol.27 (3-4), p.310-322

2024

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Predicting the solubility of gases, vapors, and supercritical fluids in amorphous polymers from electron density using convolutional neural networks

Solute Diffusion into Polymer Swollen by Supercritical CO2 by High-Pressure Electron Paramagnetic Resonance Spectroscopy and Chromatography

Performance of the DLPNO-CCSD and recent DFT methods in the calculation of isotropic and dipolar contributions to 14N hyperfine coupling constants of nitroxide radicals

Correction to: Performance of the DLPNO-CCSD and recent DFT methods in the calculation of isotropic and dipolar contributions to 14 N hyperfine coupling constants of nitroxide radicals

Supercritical fluids in chemistry

Performance of DFT methods in the calculation of isotropic and dipolar contributions to 14N hyperfine coupling constants of nitroxide radicals

Thioureido Cymantrene Derivatives: Synthesis and Photochromic Properties

Influence of solvent electron affinity on paramagnetic defects in hybrid Si/SiOx luminescent nanoparticles

Peculiarities of Spin Exchange in Nitroxide Biradicals Containing Two para-Phenylene Groups in the Bridge: EPR Investigation and DFT Calculations

Cu(II)-Alkyl Chlorocomplexes: Stable Compounds or Transients? DFT Prediction of their Structure and EPR Parameters

Quantum chemistry of organocuprates as intermediates of catalytic and photochemical reactions

The Structure and EPR Behavior of Nitroxide Biradical Containing Phosphorus Atom in the Bridge

UV–Vis Identification and DFT-Assisted Prediction of Structures of Cu(II)–Alkyl Chlorocomplexes

Photochemical transformations of exo-2,3-norbornene oxide radical cations in the CF3CCl3 matrix at 77 K

PHOTOTRANSFORMATIONS OF 1,3-BUTADIENE DIEPOXIDE RADICAL CATIONS IN CF3ССl3 AT 77 K

Effect of Freon matrices on the intermediates stabilized in X-ray irradiated 1,7-dioxaspiro[5,5]undecane solutions at 77 K

Effect of Freon matrices on the intermediates stabilized in X-ray irradiated 1,7-dioxaspiro[5,5]undecane solutions at 77K

Photochemical transformations of exo-2,3-norbornene oxide radical cations in the CF3CCl3 matrix at 77K

Photoinduced deprotonation of cyclopentene oxide radical cations in low-temperature Freon matrices

Performance of DFT methods in the calculation of isotropic and dipolar contributions to 14 N hyperfine coupling constants of nitroxide radicals

Photochemistry of cyclohexene oxide radical cations in freonic matrices at 77 K

Cyclic form of the aziridine radical cation in a CF3CCl3 matrix at 77 K

Photoisomerization of methylthiirane radical cations in freonic matrices at 77 K

The use of a hydraulic electronic model to assess the functioning of the water supply network

Statistical Computational Model of Fission Products Composition of Irradiated Nuclear Fuel and Their Contribution to Gas-aerosol Emissions of Nuclear Power Plants

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