Interfacing CRYSTAL/AMBER to Optimize QM/MM Lennard–Jones Parameters for Water and to Study Solvation of TiO2 Nanoparticles
Ougaard Dohn, Asmus, Selli, Daniele, Fazio, Gianluca, Ferraro, Lorenzo, Mortensen, Jens, Civalleri, Bartolomeo, Di Valentin, CristianaТом:
23
Мова:
english
Журнал:
Molecules
DOI:
10.3390/molecules23112958
Date:
November, 2018
Файл:
PDF, 5.72 MB
english, 2018