Browsing Chemistry by Subject "?1"

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    • Theoretical proton affinities of alpha1 adrenoceptor ligands 

      KINSELLA, GEMMA; ROZAS, ISABEL; WATSON, GRAEME WILLIAM (2006)
      A systematic study has been performed of the proton affinity of a large family of agonists and antagonists of the ?1-adrenoceptor at the B3LYP/6-31G* level of theory. After a conformational search, all the N atoms were ...