Ab initio calculations of intramolecular parameters for a class of arylamide polymers

Ab initio calculations of intramolecular parameters for a class of arylamide polymers

Using DFT methods, we have determined intramolecular parameters for an important class of arylamide polymers displaying antimicrobial and anticoagulant inhibitory properties. A strong link has been established between these functions and the conformation that the polymers adopt in solution and at li...

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Veröffentlicht in:Journal of computational chemistry. - 1984. - 27(2006), 6 vom: 30. Apr., Seite 693-700
1. Verfasser: Vemparala, Satyavani (VerfasserIn)
Weitere Verfasser: Ivanov, Ivaylo, Pophristic, Vojislava, Spiegel, Katrin, Klein, Michael L
Format: Aufsatz
Sprache:English
Veröffentlicht: 2006
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article Research Support, Non-U.S. Gov't Research Support, U.S. Gov't, Non-P.H.S. Amides Polymers