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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)

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DOI: 10.1002/(SICI)1096-987X(199903)20:4<396::AID-JCC2>3.0.CO;2-9

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type: Journal Article

metadata version: 2020-04-01

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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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