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

par Petrova, Vlada V
Publié dans: Journal of computational chemistry (2024)

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

par Domnin, Anton V
Publié dans: Journal of computational chemistry (2020)