| 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 | 100 | 2022 |
| 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 | 74 | 2021 |
| 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 | 62 | 2020 |
| 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 | 57 | 2019 |
| 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 | 46 | 2019 |
| 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 | 43 | 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 | 41 | 2016 |
| Insight into the nature of rim bonds in coronene N Fedik, AI Boldyrev The Journal of Physical Chemistry A 122 (43), 8585-8590, 2018 | 30 | 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 | 29 | 2020 |
| 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 | 29 | 2019 |
| 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 | 27 | 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 | 26 | 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 | 22 | 2019 |
| Two names of stability: Spherical aromatic or superatomic intermetalloid cluster [Pd3Sn8Bi6] 4− N Fedik, M Kulichenko, AI Boldyrev Chemical Physics 522, 134-137, 2019 | 21 | 2019 |
| Nexmd v2. 0 software package for nonadiabatic excited state molecular dynamics simulations VM Freixas, W Malone, X Li, H Song, H Negrin-Yuvero, R Pérez-Castillo, ... Journal of Chemical Theory and Computation 19 (16), 5356-5368, 2023 | 19 | 2023 |
| Bridging Aromatic/Antiaromatic Units: Recent Advances in Aromaticity and Antiaromaticity in Main‐Group and Transition‐Metal Clusters from Bonding and Magnetic Analyses NV Tkachenko, IA Popov, M Kulichenko, N Fedik, ZM Sun, ... European Journal of Inorganic Chemistry 2021 (41), 4239-4250, 2021 | 19 | 2021 |
| “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 | 19 | 2021 |
| 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 | 19 | 2015 |
| 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 | 18 | 2015 |
| 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 | 17 | 2020 |
Maksim KulichenkoLos Alamos National LaboratoryVerified email at lanl.gov
