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Pavel N. Zolotarev
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Li(Ni,Co,Al)O2 Cathode Delithiation: A Combination of Topological Analysis, Density Functional Theory, Neutron Diffraction, and Machine Learning Techniques
RA Eremin, PN Zolotarev, OY Ivanshina, IA Bobrikov
The Journal of Physical Chemistry C 121 (51), 28293-28305, 2017
492017
A possible route toward expert systems in supramolecular chemistry: 2-periodic H-bond patterns in molecular crystals
PN Zolotarev, MN Arshad, AM Asiri, ZM Al-Amshany, VA Blatov
Crystal growth & design 14 (4), 1938-1949, 2014
492014
A 3D Coordination Network Built from CuII4Cl3(H2O)2 Linear Clusters and Tetrapyridyl Tetrahedral Silane Ligands: Reversible Iodine Uptake and Friedelá…
MS Deshmukh, A Chaudhary, PN Zolotarev, R Boomishankar
Inorganic chemistry 56 (19), 11762-11767, 2017
232017
Searching new crystalline substrates for OMBE: topological and energetic aspects of cleavable organic crystals
PN Zolotarev, M Moret, S Rizzato, DM Proserpio
Crystal Growth & Design 16 (3), 1572-1582, 2016
212016
Knowledge-based approaches to H-bonding patterns in heterocycle-1-carbohydrazoneamides
AV Vologzhanina, AV Sokolov, PP Purygin, PN Zolotarev, VA Blatov
Crystal Growth & Design 16 (11), 6354-6362, 2016
172016
Ionic Transport in Doped Solid Electrolytes by Means of DFT Modeling and ML Approaches: A Case Study of Ti-Doped KFeO2
RA Eremin, PN Zolotarev, AA Golov, NA Nekrasova, T Leisegang
The Journal of Physical Chemistry C 123 (49), 29533-29542, 2019
142019
Supramolecular architectures of Mn (NCS) 2 complexes with N'-(1-(pyridin-4-yl) ethylidene) picolinohydrazide and N'-(phenyl (pyridin-4-yl) methylene) isonicotinohydrazide
G Mahmoudi, M Kubicki, D Choquesillo-Lazarte, B Miroslaw, ...
Polyhedron 190, 114776, 2020
102020
On the influence of solvent properties on the structural characteristics of molecular crystal polymorphs
PN Zolotarev, NA Nekrasova
Crystal Growth & Design 20 (11), 7152-7162, 2020
102020
Hybrid dft/data-driven approach for searching for new quasicrystal approximants in sc-x (x= rh, pd, ir, pt) systems
RA Eremin, IS Humonen, PN Zolotarev, IV Medrish, LE Zhukov, ...
Crystal Growth & Design 22 (7), 4570-4581, 2022
62022
Topological analysis of procrystal electron densities as a tool for computational modeling of solid electrolytes: A case study of known and promising potassium conductors
PN Zolotarev, AA Golov, NA Nekrasova, RA Eremin
AIP Conference Proceedings 2163 (1), 2019
52019
Delithiated states of layered cathode materials: doping and dispersion interaction effects on the structure
R Eremin, P Zolotarev, I Bobrikov
EPJ Web of Conferences 177, 02001, 2018
52018
Synthesis and description of intermolecular interactions in new sulfonamide derivatives of tranexamic acid
M Ashfaq, MN Arshad, M Danish, AM Asiri, S Khatoon, G Mustafa, ...
Journal of Molecular Structure 1103, 271-280, 2016
52016
Topology-based description of the NCA cathode configurational space and an approach of its effective reduction
P Zolotarev, R Eremin
EPJ Web of Conferences 177, 02005, 2018
42018
Relationships between Changes in Guest Ion Properties and in the Host Framework Topology in Ionic Coordination Polymers
PN Zolotarev
Crystal Growth & Design 21 (9), 4959-4970, 2021
32021
A machine learning approach for predicting formation enthalpy: A case study of Mackay-type approximants of icosahedral quasicrystals
R Eremin, P Zolotarev, T Leisegang, P Solokha
AIP Conference Proceedings 2163 (1), 2019
32019
Topological study of diverse hydrogen-bonded patterns found in a system of a nickel (II) complex and the sulfate anion
MA Harvey, S Suarez, PN Zolotarev, DM Proserpio, R Baggio
Acta Crystallographica Section C: Structural Chemistry 74 (3), 351-359, 2018
22018
Photocatalytic degradation of methylene blue using sunlight-powered coordination polymers constructed from a tetracarboxylate linker
AC Oladipo, AD Aderibigbe, VT Olayemi, PA Ajibade, HS Clayton, ...
Journal of Photochemistry and Photobiology A: Chemistry 448, 115331, 2024
12024
A combined DFT/topological analysis approach for modeling disordered solid electrolytes
P Zolotarev, N Nekrasova, A Golov, R Eremin
EPJ Web of Conferences 201, 02005, 2019
12019
A redox active rod coordination polymer from tetrakis (4-carboxylic acid biphenyl) tetrathiafulvalene
N Zigon, F Solano, P Auban-Senzier, S Grolleau, T Devic, PN Zolotarev, ...
Dalton Transactions, 2024
2024
Comparative analysis of DFT-vdW vs. Coulomb energies for configurational space of layered cathode material at different delithiation levels
P Zolotarev, R Eremin
EPJ Web of Conferences 201, 02004, 2019
2019
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Articles 1–20