Browsing by Subject "AM1"

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    • 13C-NMR and theoretical studies of internal rotation in methylated anilines 
      Zapata-Torres, Gerald; Parra-Mouchet, Julia; Cassels Niven, Bruce (1998)
      The conformational properties of ten ring-methylated N-methyl- and N,N-dimethylanilines have been studied using 13C-NMR chemical shifts and spin-lattice relaxation times in CDCl3, and semi-empirical (AM1) quantum-chemical ...