Computational modelling of inorganic solids
Author:
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2013/IC/C3IC90023A
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1. Carbonophosphates: A New Family of Cathode Materials for Li-Ion Batteries Identified Computationally
2. High-pressure ionic and molecular phases of ammonia within density functional theory
3. Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential
4. Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set
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