Aconityl-derived polymers for biomedical applications. Modeling study of cis-trans isomerisation

Theoretical Chemistry Accounts

Volumn 109, Issue 4, 2003, Pages 206-212

  Zloh, Mire ^a   Dinand, Elisabeth ^a   Brocchini, Steve ^a  

^a UNIVERSITY OF LONDON   (United Kingdom)

Author keywords

Ab initio; Aconityl acid; Hydrolytically degradable; Molecular modeling; Polymer

Indexed keywords

ACID ANHYDRIDE; CARBOXYLIC ACID; POLYMER;

AB INITIO CALCULATION; ACIDITY; ARTICLE; CHEMICAL BOND; DEGRADATION; HYDROLYSIS; ISOMERISM; MOLECULAR MODEL; PH;

EID: 0037805217     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-002-0403-5     Document Type: Article

References (10)

1. Mammen M, Choi S, Whitesides G (1998) Angew Chem Int Ed Engl 37: 2755
2. Clochard M, Rankin S, Brocchini S (2000) Macromol Rapid Commun 853
3. Shen W, Ryser H (1981) Biochem Biophys Res Commun 102: 1048
4. Simic S, Clochard M, Brocchini S (2001) Abstr Pap Am Chem Soc PMSE 221: 453
5. Zloh M, Dinand E, Brocchini S, Clochard M (2001) Internet J Chem 4 article 9
6. Cyrillo M, Galvão DS (1999) EPA Newsletter 67: 31
7. Stewart JJP (1999) Mopac manual, 6th edn
8. Schmidt MW, Baldridge KK, Boatz JA, Elbert ST, Gordon MS, Jensen JH, Koseki S, Matsunaga N, Nguyen KA, Su SJ, Windus TL, Dupuis M, Montgomery JA (1993) J Comput Chem 14: 1347
9. Schaftenaar G, Noordik JH (2000) J Comput -Aided Mol Des 14: 123
10. Portmann S, Lüthi HP (2000) Chimia 54: 766