Supplementary material to polyacenes paper
http://dx.doi.org/10.1021/jp960598q
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B3LYP/cc-pVDZ and B3LYP/cc-pVTZ optimum geometries of naphtalene, azulene, phenanthrene, and anthracene in XMOL format
(Cartesian coordinates in angstrom; GAPT charges given in fourth column)
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comartin@wicc.weizmann.ac.il