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cclib - parsers and algorithms for computational chemistry


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cclib - parsers and algorithms for computational chemistry

  1. 1. 1 2 Noel M. O'Boyle and Adam Tenderholt 1Unilever 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.