July 14, 2019
An archive of computation chemistry related software
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Collections of data sets of use to computational chemists
Collections of faq's and other documentation for various different programs
Ulrike Salzner <salzner~~fen.bilkent.edu.tr>
Sun, 14 Jul 2019 13:25:13 +0300
CCL: Is the energy of HOMO and LUMO extracted from DFT or TD-DFT calcs?