Computational modelling of inorganic solids
Author:
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2012/IC/C2IC90015G
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1. A reactive force field for aqueous-calcium carbonate systems
2. Screening for high-performance piezoelectrics using high-throughput density functional theory
3. The PAW/GIPAW approach for computing NMR parameters: A new dimension added to NMR study of solids
4. A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
5. Accurate description of van der Waals complexes by density functional theory including empirical corrections
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