Simulation of the structure of organosilane film coatings

Molecular Simulation

Volumn 32, Issue 12-13, 2006, Pages 1095-1101

  Hayes, R A ^a   Watson, G W ^b   Willock, D J ^a  

^a CARDIFF UNIVERSITY   (United Kingdom)

^b TRINITY COLLEGE DUBLIN   (Ireland)

Author keywords

Intrinsic stability; Molecular dynamics; Organosilane compounds; Packing energy

Indexed keywords

CHAIN LENGTH; MOLECULAR DYNAMICS; PROBLEM SOLVING; SILANES; TWO DIMENSIONAL;

INTRINSIC STABILITY; MOLECULAR DYNAMICS SIMULATION; ORGANOSILANE COMPOUNDS; PACKING ENERGY;

ORGANIC COATINGS;

EID: 34548415386     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020601052898     Document Type: Article

References (8)

1. S.J. Davis, J.F. Watts. Organization of methoxysilane molecules on iron. Int. J. Adhes. Adhes., 16, 5 (1996).
2. E.P. Plueddemann, P. Page. Methods for improving the performance of silane coupling agents. J. Adhes. Sci. Technol 5, 831 (1991).
3. P.M. Hobbs, A.J. Kinloch. The computational molecular modelling of organosilane primers. J. Adhes., 66, 203 (1998).
4. N.G. Cave, A.J. Kinloch. Self-assembling monolayer silane films as adhesion promoters. Polymer, 33, 1162 (1992).
5. J. Quinton, L. Thomsen, P. Dastoor. Adsorption of organosilanes on iron and aluminium oxide surfaces. Surf. Interface Anal., 25, 931 (1997).
6. P. Dauber-Osguthorpe, V.A. Roberts, D.J. Osguthorpe, J. Wolfe, M. Genest, A.T. Hagler. Structure and energetics of ligand-binding to proteins - Escherichia coli dihydrofolate reductase trimethoprim a drug-receptor system. Proteins Struct Funct Genet, 4, 31 (1988).
7. R.A. Hayes, G.W. Watson, D.J. Willock, H. Edwards. Foundations of Molecular Modeling and Simulations, P.T. Cummings, P.R. Westmoreland, B. Carnahan (Eds.), Vol. 97, pp. 230 AIChE Symposium Series No. 325 (2001).
8. W. Smith, T. Forester. DL_POLY_2.0: a general-purpose parallel molecular dynamics simulation package. J. Mol Graphics, 14, 136 (1996).