Interfacing CRYSTAL/AMBER to Optimize QM/MM Lennard–Jones Parameters for Water and to Study Solvation of TiO2 Nanoparticles
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Title
Interfacing CRYSTAL/AMBER to Optimize QM/MM Lennard–Jones Parameters for Water and to Study Solvation of TiO2 Nanoparticles
Authors
Keywords
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Journal
MOLECULES
Volume 23, Issue 11, Pages 2958
Publisher
MDPI AG
Online
2018-11-14
DOI
10.3390/molecules23112958
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