Παρακολούθηση
Nikita Fedik
Nikita Fedik
Staff Scientist, Los Alamos National Laboratory
Η διεύθυνση ηλεκτρονικού ταχυδρομείου έχει επαληθευτεί στον τομέα lanl.gov - Αρχική σελίδα
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Παρατίθεται από
Παρατίθεται από
Έτος
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
1022022
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
752021
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
622020
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
572019
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
462019
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
432019
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
412016
Insight into the nature of rim bonds in coronene
N Fedik, AI Boldyrev
The Journal of Physical Chemistry A 122 (43), 8585-8590, 2018
302018
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
292020
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
292019
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
272019
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
262020
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
222019
Two names of stability: Spherical aromatic or superatomic intermetalloid cluster [Pd3Sn8Bi6] 4−
N Fedik, M Kulichenko, AI Boldyrev
Chemical Physics 522, 134-137, 2019
212019
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
192023
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
192021
“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
192021
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
192015
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
182015
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
172020
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