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"PM3 geometry optimization and CNDO/S-CI computation of UV/Vis spectra of ..."
Harold Baumann, Rainer E. Martin, François Diederich (1999)
- Harold Baumann, Rainer E. Martin, François Diederich:
PM3 geometry optimization and CNDO/S-CI computation of UV/Vis spectra of large organic structures: Program description and application to poly(triacetylene) hexamer and taxotere. J. Comput. Chem. 20(4): 396-411 (1999)
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