Sergey A. Shteingolts

Materials Science · Physical Sciences

7h-index212citations37works0.02yr avg
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Research Topics

Crystallization and Solubility Studies(16), X-ray Diffraction in Crystallography(16), Crystallography and molecular interactions(13), Chemical Thermodynamics and Molecular Structure(4), Advanced Chemical Physics Studies(3)

Publications37 total

A Non Linear Spectral Graph Neural Network Simulator for More Stable and Accurate Rollouts
ArXiv.org·2026Open Access
A Non Linear Spectral Graph Neural Network Simulator for More Stable and Accurate Rollouts
arXiv (Cornell University)·2026Open Access
Evaluating the use of a machine learning simulator for structure–property prediction: A case study on disordered elastic networks
The Journal of Chemical Physics·2025Open Access
Dynamical Data for More Efficient and Generalizable Learning: A Case Study in Disordered Elastic Networks
arXiv (Cornell University)·2025Open Access
Erratum to: Specific Behavior of the Electrochemically Generated Organonickel Sigma-Complex [NiBr(Tcpp)(bpy)], where Tcpp is 2,4,6-Tricyclopentylphenyl, bpy is 2,2'-Bipyridine
Russian Journal of Electrochemistry·2024Open Access
Electronic and Crystal Packing Effects in Terms of Static and Kinetic Force Field Features: Picolinic Acid N-Oxide and Methimazole
Crystal Growth & Design·2023· 27 cited
CCDC 2153809: Experimental Crystal Structure Determination
The Cambridge Structural Database·2023Open Access
Specific Behavior of the Electrochemically Generated Organonickel Sigma-Complex [NiBr(Tcpp)(bpy)], where Tcpp is 2,4,6-Tricyclopentylphenyl, bpy is 2,2'-Bipyridine
Russian Journal of Electrochemistry·2022· 3 cited
Real‐Space Interpretation of Interatomic Charge Transfer and Electron Exchange Effects by Combining Static and Kinetic Potentials and Associated Vector Fields**
Chemistry - A European Journal·2022· 29 cited
Real-Space Interpretation of Interatomic Charge Transfer and Electron Exchange Effects by Combining Static and Kinetic Potentials and Associated Vector Fields
2022Open Access
CCDC 1986196: Experimental Crystal Structure Determination
The Cambridge Structural Database·2022Open Access
CCDC 1986197: Experimental Crystal Structure Determination
The Cambridge Structural Database·2022Open Access
CCDC 2084659: Experimental Crystal Structure Determination
The Cambridge Structural Database·2021Open Access
On the transfer of theoretical multipole parameters for restoring static electron density and revealing and treating atomic anharmonic motion. Features of chemical bonding in crystals of an isocyanuric acid derivative
Acta Crystallographica Section B Structural Science Crystal Engineering and Materials·2021· 19 cited
Synthesis of 2,2-Dimethylhydrazonebut-2-enenitriles and [(2,2-Dimethylhydrazono)methyl]phenylacrylonitriles for Development of Antimicrobial Fluorescent Dyes
Russian Journal of General Chemistry·2021· 3 cited
Orbital‐Free Quantum Crystallographic View on Noncovalent Bonding: Insights into Hydrogen Bonds, π⋅⋅⋅π and Reverse Electron Lone Pair⋅⋅⋅π Interactions
Chemistry - A European Journal·2021· 52 cited
Orbital-Free Quantum Crystallographic View on Noncovalent Bonding: Insights into Hydrogen Bonds, π∙∙∙π and Reverse Electron Lone Pairs∙∙∙π Interactions
2020Open Access
Orbital-Free Quantum Crystallographic View on Noncovalent Bonding: Insights into Hydrogen Bonds, π∙∙∙π and Reverse Electron Lone Pairs∙∙∙π Interactions
2020Open Access
CCDC 2033955: Experimental Crystal Structure Determination
The Cambridge Structural Database·2020Open Access
CCDC 2033954: Experimental Crystal Structure Determination
The Cambridge Structural Database·2020Open Access
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Frequent Co-authors

Robert R. Fayzullin(26), О.А. Lodochnikova(15), V. V. Davydova(9), M. A. Mar’yasov(9), О. Е. Насакин(9), A.I. Stash(6), Vladimir G. Tsirelson(6), Liliya F. Saifina(6), Vyacheslav E. Semenov(6), Vera L. Mamedova(5), Dmitry E. Korshin(5), В. А. Мамедов(5), Alina F. Saifina(5), Georgy K. Fukin(4), Salman N. Salman(4), Dan Mendels(4), I. F. Sakhapov(3), Zufar N. Gafurov(3), Artyom O. Kantyukov(3), Alexey A. Kagilev(3)