Self-consistent reaction field calculations on the proton transfer in ammonia-formic acid systems as a model for hydrogen bonding in amino acids in solution

Model studies of interactions between am

Model studies of interactions between amino acids and carboxylic acids: a pcilo mo study of the effects of hydration on hydrogen bonding and proton transfer in the system acetic acid - imidazole

✍ Milan Remko; Ludovit Krasnec 📂 Article 📅 1980 🏛 Elsevier Science ⚖ 480 KB

The semi-empirical PCILO (Perturbative Configuration Interaction using Localized Orbitals) method has been used to study intermolecular hydrogen bonding and proton transfer in the acetic acid -imidazole system. The effect of specific hydration on the proton potential functions was investigated (with