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The strong hydrogen bond in the formic acid - formate anion system

✍ Scribed by Basch, Harold; Stevens, Walter J.

Book ID
127316141
Publisher
American Chemical Society
Year
1991
Tongue
English
Weight
974 KB
Volume
113
Category
Article
ISSN
0002-7863

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The hydrogen-bonded comple\es between CH3NHz and (CH-&NH with HCI have been studied by the ab initio molecular orbital method using the 4-31G basis set. Calculations show that the proton potential curve has a sm\_ele mmimum near to the mtrogen atom m both complevzs. This means that the proton has be