Can aromaticity be a kinetic trap? Example of mechanically interlocked aromatic [2-5] catenanes built from cyclo [18] carbon N Fedik, M Kulichenko, D Steglenko, AI Boldyrev Chemical Communications 56 (18), 2711-2714, 2020 | 53 | 2020 |
The rise of neural networks for materials and chemical dynamics M Kulichenko, JS Smith, B Nebgen, YW Li, N Fedik, AI Boldyrev, ... The Journal of Physical Chemistry Letters 12 (26), 6227-6243, 2021 | 47 | 2021 |
Realization of Lewis Basic Sodium Anion in the NaBH3− Cluster G Liu, N Fedik, C Martinez‐Martinez, SM Ciborowski, X Zhang, ... Angewandte Chemie International Edition 58 (39), 13789-13793, 2019 | 45 | 2019 |
Extending machine learning beyond interatomic potentials for predicting molecular properties N Fedik, R Zubatyuk, M Kulichenko, N Lubbers, JS Smith, B Nebgen, ... Nature Reviews Chemistry 6 (9), 653-672, 2022 | 40 | 2022 |
Superoctahedral two-dimensional metallic boron with peculiar magnetic properties NV Tkachenko, D Steglenko, N Fedik, NM Boldyreva, RM Minyaev, ... Physical Chemistry Chemical Physics 21 (36), 19764-19771, 2019 | 38 | 2019 |
10-Dimethylamino Derivatives of Benzo[h]quinoline and Benzo[h]quinazolines: Fluorescent Proton Sponge Analogues with Opposed peri-NMe2/–N Groups … AF Pozharskii, VA Ozeryanskii, VY Mikshiev, AS Antonov, AV Chernyshev, ... The Journal of Organic Chemistry 81 (13), 5574-5587, 2016 | 36 | 2016 |
Hydrated Sulfate Clusters SO42–(H2O)n (n = 1–40): Charge Distribution Through Solvation Shells and Stabilization M Kulichenko, N Fedik, KV Bozhenko, AI Boldyrev The Journal of Physical Chemistry B 123 (18), 4065-4069, 2019 | 32 | 2019 |
Aromatic character of [Au 13] 5+ and [MAu 12] 4+/6+(M= Pd, Pt) cores in ligand protected gold nanoclusters–interplay between spherical and planar σ-aromatics N Fedik, AI Boldyrev, A Muñoz-Castro Physical Chemistry Chemical Physics 21 (45), 25215-25219, 2019 | 26 | 2019 |
Insight into the nature of rim bonds in coronene N Fedik, AI Boldyrev The Journal of Physical Chemistry A 122 (43), 8585-8590, 2018 | 26 | 2018 |
Expansion of magnetic aromaticity criteria to multilayer structures: magnetic response and spherical aromaticity of matryoshka‐like cluster [Sn@ Cu12@ Sn20] 12− M Kulichenko, N Fedik, A Boldyrev, A Muñoz‐Castro Chemistry–A European Journal 26 (10), 2263-2268, 2020 | 24 | 2020 |
Structure and Bonding in [Sb@In8Sb12]3− and [Sb@In8Sb12]5− C Liu, NV Tkachenko, IA Popov, N Fedik, X Min, CQ Xu, J Li, JE McGrady, ... Angewandte Chemie International Edition 58 (25), 8367-8371, 2019 | 24* | 2019 |
Reply to the Comment on “Realization of Lewis Basic Sodium Anion in the NaBH3− Cluster” G Liu, N Fedik, C Martinez‐Martinez, SM Ciborowski, X Zhang, ... Angewandte Chemie International Edition 59 (23), 8760-8764, 2020 | 22 | 2020 |
Inorganic Molecular Electride Mg4O3: Structure, Bonding, and Nonlinear Optical Properties M Kulichenko, N Fedik, KV Bozhenko, AI Boldyrev Chemistry–A European Journal 25 (20), 5311-5315, 2019 | 20 | 2019 |
Mechanism of thiol-induced nitrogen (II) oxide donation by furoxans: a quantum-chemical study ON Burov, ME Kletskii, NS Fedik, AV Lisovin, SV Kurbatov Chemistry of Heterocyclic Compounds 51, 951-960, 2015 | 20 | 2015 |
Two names of stability: Spherical aromatic or superatomic intermetalloid cluster [Pd3Sn8Bi6] 4− N Fedik, M Kulichenko, AI Boldyrev Chemical Physics 522, 134-137, 2019 | 18 | 2019 |
“Bottled” spiro-doubly aromatic trinuclear [Pd 2 Ru]+ complexes M Kulichenko, N Fedik, A Monfredini, A Muñoz-Castro, D Balestri, ... Chemical Science 12 (1), 477-486, 2021 | 16 | 2021 |
Periodic F-defects on the MgO surface as potential single-defect catalysts with non-linear optical properties M Kulichenko, N Fedik, D Steglenko, RM Minyaev, VI Minkin, AI Boldyrev Chemical Physics 532, 110680, 2020 | 16 | 2020 |
Boron‐Made N2: Realization of a B≡B Triple Bond in the B2Al3− Cluster N Fedik, C Mu, IA Popov, W Wang, J Wang, H Wang, KH Bowen, ... Chemistry–A European Journal 26 (36), 8017-8021, 2020 | 13 | 2020 |
Experimental and quantum-chemical study of nucleophilic substitution mechanism in berberine ON Burov, ME Kletskii, NS Fedik, SV Kurbatov, AV Lisovin Chemistry of Heterocyclic Compounds 51, 997-1007, 2015 | 12 | 2015 |
Structure and bonding of new boron and carbon superpolyhedra OA Gapurenko, RM Minyaev, NS Fedik, VV Koval, AI Boldyrev, VI Minkin Structural Chemistry 30, 805-814, 2019 | 11 | 2019 |