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Atomistic modeling of clays and related nanoporous materials with ClayFF force field

P. 17-52.

The Chapter is based on the material of two invited lectures given by the author at the AIPEA School for Young Scientists “Computational Modeling In Clay Mineralogy”, Granada, Spain, July 2017, and the Workshop “Argilla Studium-2019”, Moscow, Russia, November 2019.

В книге

Atomistic modeling of clays and related nanoporous materials with ClayFF force field
Под науч. редакцией: C. Sainz-Diaz. Vol. 3. Bari: Digilabs Pub., 2021.