Computer modelling of complex molecular ionic materials
Author:
Publisher
Elsevier BV
Subject
Computational Mathematics,General Physics and Astronomy,Mechanics of Materials,General Materials Science,General Chemistry,General Computer Science
Reference12 articles.
1. Simulating and predicting crystal structures
2. Determination of a transferable interatomic potential for alkali-metal perchlorates and its application to morphological modelling
3. Empirical potential derivation for ionic materials
4. GULP: A computer program for the symmetry-adapted simulation of solids
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2. Structure and electronic properties of MNO3 (M: Li, Na, K, NH4) under pressure: DFT-D study;Journal of Physics and Chemistry of Solids;2015-12
3. The nature of the electronic states and photoelectron spectra of oxyanion crystals;Journal of Structural Chemistry;2009-12
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