On the possible proton motion in the imi
β
Henryk Chojnacki; JΓ³zef LipiΕski
π
Article
π
1980
π
Elsevier Science
β 344 KB
The potential energy curves of the imidazole hydrogen bond have been calculated within the modified all-valence intermediate neglect of differential overlap approach for the ground and lowest excited electronic states. Contrary to findings in the crystal unit cell no symmetrical potential barrier