Quantum-Chemical Analysis of Thermodynamics of Two-Dimensional Cluster Formation of Racemic α-Amino Acids at the Air/Water Interface

The quantum-chemical semiempiric PM3 method is used to calculate the thermodynamic parameters of clusterization for the racemic α-amino acids C n H2n+1CHNH2COOH with n = 5−15 at 278 and 298 K. Possible relative orientations of the monomers in the heterochiral clusters are considered. It is shown tha...

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Veröffentlicht in:	The journal of physical chemistry. B 2011-03, Vol.115 (10), p.2264-2281
Hauptverfasser:	Vysotsky, Yu. B, Fomina, E. S, Belyaeva, E. A, Aksenenko, E. V, Fainerman, V. B, Vollhardt, D, Miller, R
Format:	Artikel
Sprache:	eng
Schlagworte:	Air Amino Acids - chemistry B: Surfactants, Membranes Dimerization Models, Molecular Molecular Conformation Quantum Theory Stereoisomerism Thermodynamics Water - chemistry
Online-Zugang:	Volltext
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