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CRYSTAL: a computational tool for the ab initio study of the electronic properties of crystals
Dovesi, R Orlando, B Civalleri, C Roetti, VR Saunders, and CM Zicovich-Wilson Zeitschrift für Kristallographie 220(5-6):571-573 (2005)
to DFT code by pmd on Aug 19, 2010, 2:25 PM
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The calculation of the vibrational frequencies of crystalline compounds and its implementation in the CRYSTAL code.
Fabien Pascale, Claudio M. Zicovich-Wilson, F. López Gejo, Bartolomeo Civalleri, Roberto Orlando, and Roberto Dovesi Journal of Computational Chemistry 25(6):888-897 (2004)
to dblp by dblp on Mar 18, 2010, 12:00 AM
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Ab initio simulation of the IR spectra of pyrope, grossular, and andradite.
Claudio M. Zicovich-Wilson, F. J. Torres, Fabien Pascale, L. Valenzano, Roberto Orlando, and Roberto Dovesi Journal of Computational Chemistry 29(13):2268-2278 (2008)
to dblp by dblp on Mar 18, 2010, 12:00 AM
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On the use of symmetry in the ab initio quantum mechanical simulation of nanotubes and related materials.
Yves Noel, Philippe D'arco, Raffaella Demichelis, Claudio M. Zicovich-Wilson, and Roberto Dovesi Journal of Computational Chemistry 31(4):855-862 (2010)
to dblp by dblp on Mar 18, 2010, 12:00 AM
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CRYSTAL98 User's Manual
V.R. Saunders, R. Dovesi, C. Roetti, M. Caus, N.M. Harrison, R. Orlando, and C. M. Zicovich-Wilson Università di Torino, Torino, (1999)
by vos107 on Mar 26, 2009, 12:11 PM
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