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Molecular orbital theory of the hydrogen bond. XV. Ring closure and proton transfer in formic acid dimer and .beta.-hydroxyacrolein

โœ Scribed by Del Bene, Janet E.; Kochenour, William L.

Book ID
127205633
Publisher
American Chemical Society
Year
1976
Tongue
English
Weight
747 KB
Volume
98
Category
Article
ISSN
0002-7863

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๐Ÿ“œ SIMILAR VOLUMES

Molecular orbital study of hydrogen bond
Molecular orbital study of hydrogen bonding and proton transfer in the system acetic acid - pyridine: isolated system and solvent effect
โœ Milan Remko ๐Ÿ“‚ Article ๐Ÿ“… 1980 ๐Ÿ› Elsevier Science โš– 363 KB

The intermolecular hydrogen bond and proton transfer of the system, acetic acid -pyridine was investigated by means of the semi-empirical PCILO (Perturbative Configuration Interaction using Localised Orbitals) method. A potential curve with a single minimum was found in the 1:l complex of acetic ac