FFSiOH: a New Force Field for Silica Polymorphs and Their Hydroxylated Surfaces Based on Periodic B3LYP Calculations-Reference-Cited by-同舟云学术

FFSiOH: a New Force Field for Silica Polymorphs and Their Hydroxylated Surfaces Based on Periodic B3LYP Calculations

Published:2008-03-13 Issue:7 Volume:20 Page:2522-2531
ISSN:0897-4756
Container-title:Chemistry of Materials
language:en
Short-container-title:Chem. Mater.

Author:

Pedone Alfonso¹,Malavasi Gianluca¹,Menziani M. Cristina¹,Segre Ulderico¹,Musso Federico¹,Corno Marta¹,Civalleri Bartolomeo¹,Ugliengo Piero¹

Affiliation:

1. Department of Chemistry and SCS center, University of Modena and Reggio Emilia, Via G. Campi 183, 41100 Modena, Italy, and Department of Chemistry IFM, NIS Centre of Excellence and INSTM (Materials Science and Technology) National Consortium, University of Torino, Via P. Giuria 7, Torino, Italy

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/cm703437y

Reference71 articles.

1. The silanol group and its role in liquid chromatography

2. Knozinger, H. InThe Hydrogen Bond;Schuster, P.; Zundel, G.; Sandorfy, C., Eds.North-Holland:Amsterdam, 1976; Vol.III; pp1263.

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