Implementation of machine learning protocols to predict the hydrolysis reaction properties of organophosphorus substrates using descriptors of electron density topology

von Petrova, Vlada V
Veröffentlicht in: Journal of computational chemistry (2024)

First-Principles Calculations of Phonons and Thermodynamic Properties of Zr(Hf)S2 -Based Nanotubes

von Domnin, Anton V
Veröffentlicht in: Journal of computational chemistry (2020)