𝔖 Bobbio Scriptorium
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The effect of protonic motion on the electronic properties of hydrogen-bonded complexes

✍ Scribed by Henryk T. Flakus; Russell J. Boyd


Book ID
119116368
Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
926 KB
Volume
133
Category
Article
ISSN
0166-1280

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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