Interactions at the organic/inorganic interface: Molecular modeling of the interaction between diphosphonates and the surfaces of barite crystals

Journal of the American Chemical Society

Volumn 118, Issue 3, 1996, Pages 642-648

  Rohl, A L ^a   Gay, D H ^a   Davey, R J ^b   Catlow, C R A ^a  

^a DAVY FARADAY RESEARCH LABORATORY   (United Kingdom)

^b UNIVERSITY OF MANCHESTER   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0011577457     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja951443j     Document Type: Article

References (20)

1. Davis, M. E.; Lobo, R. F. Chem. Mater. 1992, 4, 756-768.
2. Heywood, B. R.; Mann, S. Langmuir 1992, 8, 1492-1498.
3. Weiner, S. CRC Crit. Rev. Biochem. 1986, 20, 365-408.
4. Addadi, L.; Berkovitch-Yellin, Z.; Weissbuch, I.; Lahav, M.; Leiserowitz, L. Top. Stereochem. 1986, 16, 1-85.
5. Davey, R. J.; Polywka, L. A.; Maginn, S. J. In Advances in Industrial Crystallisation; Garside, J., Davey, R. J., Jones, A. G., Eds.; Butterworth-Heinemann: Oxford, 1991; pp 150-165.
6. Benton, W. J.; Collins, I. R.; Cooper, S. D.; Grimsey, I. M.; Parkinson, G. M.; Rodger, S. A. Faraday Discuss. 1993, 95, 281-297.
7. Black, S. N.; Bromley, L. A.; Cottier, D.; Davey, R. J.; Dobbs, B.; Rout, J. E. J. Chem. Soc., Faraday Trans. 1991, 87, 3409-3414.
8. Davey, R. J.; Black, S. N.; Bromley, L. A.; Cottier, D.; Rout, J. E. Nature 1991, 353, 549-550.
9. Hillner, P. E.; Manne, S.; Hansma, P. K.; Gratz, A. J. Faraday Discuss. 1993, 95, 191-197.
10. van Enckevort, W. J. P. In Science and Technology of Crystal Growth; van der Eerden, J. P., Bruinsma, O. S. L., Eds.; Kluwer: Dordrecht, 1995; pp 355-366.
11. Gay, D. H.; Rohl, A. L. J. Chem. Soc., Faraday Trans. 1995, 91, 925-936.
12. Tasker, P. W. A guide to MIDAS: AERE Harwell Report No. 9130, 1978.
13. Heyes, D. M.; Barber, M.; Clarke, J. H. R. J. Chem. Soc., Faraday Trans. 2 1977, 73, 1485-1496.
14. Allan, N. L.; Rohl, A. L.; Gay, D. H.; Catlow, C. R. A.; Davey, R. J.; Mackrodt, W. C. J. Chem. Soc., Faraday Discuss. 1993, 95, 273-280.
15. InsightII Version 2.3.6. Biosym Technologies Inc.: San Diego, 1995.
16. MOPAC Version 5.0, QCPE No 455, Department of Chemistry, Indiana University, 1989.
17. Rappé, A. K.; Casewit, C. J.; Colwell, K. S.; Goddard, W. A., III; Skiff, W. M. J. Am. Chem. Soc. 1992, 114, 10024-10035.
18. Hartman, P.; Strom, C. S. J. Cryst. Growth 1989, 97, 502-512.
19. Bromley, L. A.; Cottier, D.; Davey, R. J.; Dobbs, B.; Smith, S.; Heywood, B. R. Langmuir 1993, 9, 3594-3599.
20. Heywood, B. R.; Mann, S. J. Am. Chem. Soc. 1992, 114, 4681-4686.