| Effect of meso-substituents on the electronic transitions of BODIPY dyes: DFT and RI-CC2 study IK Petrushenko, KB Petrushenko Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 138, 623-627, 2015 | 59 | 2015 |
| Hydrogen adsorption on graphene, hexagonal boron nitride, and graphene-like boron nitride-carbon heterostructures: A comparative theoretical study IK Petrushenko, KB Petrushenko international journal of hydrogen energy 43 (2), 801-808, 2018 | 56 | 2018 |
| Physical adsorption of hydrogen molecules on single-walled carbon nanotubes and carbon-boron-nitrogen heteronanotubes: A comparative DFT study IK Petrushenko, KB Petrushenko Vacuum 167, 280-286, 2019 | 53 | 2019 |
| Ionization potentials and structural properties of finite-length single-walled carbon nanotubes: DFT study IK Petrushenko, NA Ivanov Physica E: Low-Dimensional Systems and Nanostructures 54, 262-266, 2013 | 43 | 2013 |
| Hydrogen physisorption on nitrogen-doped graphene and graphene-like boron nitride-carbon heterostructures: a DFT study IK Petrushenko, KB Petrushenko Surfaces and Interfaces 17, 100355, 2019 | 38 | 2019 |
| Stone-Wales defects in graphene-like boron nitride-carbon heterostructures: formation energies, structural properties, and reactivity IK Petrushenko, KB Petrushenko Computational Materials Science 128, 243-248, 2017 | 34 | 2017 |
| [2+ 1] Cycloaddition of dichlorocarbene to finite-size graphene sheets: DFT study IK Petrushenko Monatshefte für Chemie-Chemical Monthly 145, 891-896, 2014 | 32 | 2014 |
| Physical adsorption of N-containing heterocycles on graphene-like boron nitride-carbon heterostructures: a DFT study IK Petrushenko, KB Petrushenko Computational and Theoretical Chemistry 1117, 162-168, 2017 | 29 | 2017 |
| Environment‐Responsive 8‐CF3‐BODIPY Dyes with Aniline Groups at the 3 Position: Synthesis, Optical Properties and RI‐CC2 Calculations KB Petrushenko, IK Petrushenko, OV Petrova, LN Sobenina, IA Ushakov, ... Asian Journal of Organic Chemistry 6 (7), 852-861, 2017 | 28 | 2017 |
| Adsorption of diatomic molecules on graphene, h-BN and their BNC heterostructures: DFT study IK Petrushenko, KB Petrushenko Diamond and Related Materials 100, 107575, 2019 | 26 | 2019 |
| DFT study of single-walled carbon hollows as media for hydrogen storage IK Petrushenko, KB Petrushenko Computational and Theoretical Chemistry 1140, 80-85, 2018 | 25 | 2018 |
| STRUCTURAL AND ELECTRONIC PROPERTIES OF FINITE-LENGTH SINGLE-WALLED CARBON AND SILICON CARBIDE NANOTUBES: DFT STUDY IK PETRUSHENKO, NA IVANOV Modern Physics Letters B, 2013 | 25 | 2013 |
| Graphene-BN-organic nanoflake complexes: DFT, IGM and SAPT0 insights IK Petrushenko, NI Tikhonov, KB Petrushenko Diamond and Related Materials 107, 107905, 2020 | 23 | 2020 |
| Novel environment-sensitive 8-CF3-BODIPY dye with 4-(dimethylamino) phenyl group at the 3-position: Synthesis and optical properties KB Petrushenko, IK Petrushenko, OV Petrova, LN Sobenina, BA Trofimov Dyes and Pigments 136, 488-495, 2017 | 23 | 2017 |
| Hydrogen adsorption on pillar [6] arene: A computational study IK Petrushenko, NI Tikhonov, KB Petrushenko Physica E: Low-dimensional Systems and Nanostructures 130, 114719, 2021 | 19 | 2021 |
| Hydrogen adsorption on inorganic benzenes decorated with alkali metal cations: theoretical study IK Petrushenko, HF Bettinger Physical Chemistry Chemical Physics 23 (9), 5315-5324, 2021 | 18 | 2021 |
| DFT calculations of hydrogen adsorption inside single‐walled carbon nanotubes IK Petrushenko Advances in Materials Science and Engineering 2018 (1), 9876015, 2018 | 18 | 2018 |
| DFT study on adiabatic and vertical ionization potentials of graphene sheets IK Petrushenko Advances in Materials Science and Engineering 2015 (1), 262513, 2015 | 18 | 2015 |
| Effect of methyl substituents on the electronic transitions in simple meso-aniline-BODIPY based dyes: RI-CC2 and TD-CAM-B3LYP computational investigation IK Petrushenko, KB Petrushenko Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 190, 239-245, 2018 | 17 | 2018 |
| Optical properties of bilayer quantum dot models based on coronene and its BN analogues with a BODIPY dye: Theoretical TD-CAM-B3LYP-D3 investigation IK Petrushenko, KB Petrushenko Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 206, 498-505, 2019 | 16 | 2019 |
