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Solvent effect on the formation and proton transfer equilibria in the 2,4,6-trichlorophenol-triethylamine system

✍ Scribed by T. Kuc; Th. Zeegers-Huyskens; Z. Pawełka

Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
439 KB
Volume
89
Category
Article
ISSN
0167-7322

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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
✍ Milan Remko 📂 Article 📅 1980 🏛 Elsevier Science ⚖ 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