Additions and corrections


B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals

Bartolomeo Civalleri, Claudio M. Zicovich-Wilson, Loredana Valenzano and Piero Ugliengo

CrystEngComm, 2008, 10, 405–410 (DOI: 10.1039/b715018k). Amendment published 27th March 2008.


A spurious double-counting of the dispersive Grimme's term within neighboring cells has been discovered in the development version of the CRYSTAL06 code that only slightly affects the previously published data without altering the main conclusions and the B3LYP-D* recipe. Corrected results in the form of a full paper are now reported.

A revised version of the full paper, incorporating all relevant corrections including a new Fig. 1, and a revised version of the original electronic supplementary information (ESI) including a new Fig. S1 are now available through the ESI link.

The corrected version of the contents entry image is given here:


The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.


Back