Zeitschrift für Kristallographie - Crystalline Materials
Editor-in-Chief: Pöttgen, Rainer
Ed. by Antipov, Evgeny / Bismayer, Ulrich / Boldyreva, Elena V. / Huppertz, Hubert / Petrícek, Václav / Tiekink, E. R. T.
IMPACT FACTOR increased in 2015: 2.560
Rank 8 out of 26 in category Cristallography in the 2015 Thomson Reuters Journal Citation Report/Science Edition
SCImago Journal Rank (SJR) 2015: 0.827
Source Normalized Impact per Paper (SNIP) 2015: 1.198
Impact per Publication (IPP) 2015: 1.834
CRYSTAL: a computational tool for the ab initio study of the electronic properties of crystals
Citation Information: Zeitschrift für Kristallographie - Crystalline Materials. Volume 220, Issue 5/6, Pages 571–573, ISSN (Online) 2196-7105, ISSN (Print) 2194-4946, DOI: https://doi.org/10.1524/zkri.220.5.571.65065, September 2009
- June 7, 2004
- July 30, 2004
- Published Online:
CRYSTAL  computes the electronic structure and properties of periodic systems (crystals, surfaces, polymers) within Hartree-Fock , Density Functional and various hybrid approximations.
CRYSTAL was developed during nearly 30 years (since 1976)  by researchers of the Theoretical Chemistry Group in Torino (Italy), and the Computational Materials Science group in CLRC (Daresbury, UK), with important contributions from visiting researchers, as documented by the main authors list and the bibliography.
The basic features of the program CRYSTAL are presented, with two examples of application in the field of crystallography [4, 5].
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