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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
H. Baumann,Rainer E. Martin,F. Diederich
Published 1999 in Journal of Computational Chemistry
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- Publication year
1999
- Venue
Journal of Computational Chemistry
- Publication date
1999-03-01
- Fields of study
Chemistry, Computer Science
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