Density functional complexation study of metal ions with poly(carboxylic acid) ligands. Part 1. Poly(acrylic acid) and poly(α-hydroxy acrylic acid)

Polymer

Volumn 46, Issue 26, 2005, Pages 12641-12652

  Pesonen, Henna ^a,c   Sillanpää, Atte ^a   Aksela, Reijo ^b   Laasonen, Kari ^c  

^a UNIVERSITY OF NAPLES FEDERICO II   (Italy)

^b KEMIRA OYJ   (Finland)

^c UNIVERSITY OF OULU   (Finland)

Author keywords

Ab initio calculations; Binding energies; Metal ion complexation

Indexed keywords

ACRYLICS; BINDING ENERGY; CARBOXYLIC ACIDS; COMPLEXATION; HYDROGEN BONDS; METAL ANALYSIS; POLYMERS;

AB INITIO CALCULATIONS; ENERGY DIFFERENCE; METAL ION COMPLEXATION; SOLVATION MODEL;

IONS;

POLYACRYLIC ACID;

EID: 29144473048     PISSN: 00323861     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.polymer.2005.10.069     Document Type: Article

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