Theoretical determination of structural
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S. Creuzet; J. Langlet
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Article
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1993
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Elsevier Science
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English
⚖ 420 KB
The structures of r-triazine and some derivatives have been determined by ab initio computations with the 6-3 1 G and Dunning basis sets augmented by polarization functions. The effect of addition of the polarization functions as well as correlation effects, using a Meller-Plesset procedure, is anal