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Physical Chemistry

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Oleg Gromov

2 results in Authors: Oleg Gromov

Theoretical and Computational Chemistry

Neural Mulliken Analysis: Molecular Graphs from Density Matrices for QSPR on Raw Quantum-Chemical Data

Version 3 posted 17 March 2025

324

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Polymer Science

Predicting the Solubility of Gases, Vapors, and Supercritical Fluids in Amorphous Polymers from Electron Density using Convolutional Neural Networks

Version 4 posted 04 September 2023

642

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