Charge distribution of histamine monocation in its "essential" conformation.
With the atomic nuclei in positions earlier defined as the "essential" conformation for activity of the histamine monocation, the charge distribution is obtained by integrating the square of the molecular wave function. The results with ab initio wave functions indicate that the positive charge is evenly dispersed over the molecular skeleton and that pictures of receptors involving localized negative sites may be invalid. A detailed description of electron distribution is given.
D002414:Cations, Monovalent; D055598:Chemical Phenomena; D002621:Chemistry; D006632:Histamine; D008958:Models, Molecular; D008968:Molecular Conformation; D011789:Quantum Theory
D002414:Cations, Monovalent; D006632:Histamine