cclib - parsers and algorithms for computational chemistry
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Transcript of cclib - parsers and algorithms for computational chemistry
Noel M. O'Boyle1 and Adam Tenderholt21Unilever Centre for Molecular Science Informatics, Dept. of Chemistry, University of Cambridge, Lensfield Rd,
Cambridge, CB2 1EW, U.K. 2Dept. of Chemistry, Stanford University, Stanford, CA 94305-5080, U.S.