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Can I read 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 on EtoBox?
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 by Milan Remko; Ludovit Krasnec is a Chemistry article available to read on EtoBox.
What is 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 about?
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 (within the so-called supermolecule approach) in the system acetic acid -imidazole x nH20 (n=2,4), The proton potential functions, calculated at equilibrium distances R 0 with a . . . N, single-minimum were found. The PCILO calculations at the longer R. \*.. N = 0.30 nm distance indicate the double-minimum potentials. The second minimum is observed in the isolated acetic acid -imidazole system as a saddle point and with increasing hydration (by two and four water molecules) crosses to the second, less stable minimum.
Who reads 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?
It is typically read by researchers, students, and practitioners in Chemistry.
- Author
- Milan Remko; Ludovit Krasnec
- Publisher
- Elsevier Science; Elsevier ; Elsevier BV (ISSN 0378-4487)
- Published
- 1980
- Language
- EN
- Field
- Chemistry (Physical Sciences)