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C.","year":"1994","journal-title":"Chem. Mater."},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"1176","DOI":"10.1021\/cm00044a016","volume":"6","author":"Huo Q.","year":"1994","journal-title":"Chem. Mater."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"1138","DOI":"10.1126\/science.7855591","volume":"267","author":"Firouzi A.","year":"1995","journal-title":"Science"},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"27","DOI":"10.1016\/0927-6513(93)80059-4","volume":"2","author":"Chen C. Y.","year":"1993","journal-title":"Microporous Mater."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"366","DOI":"10.1038\/378366a0","volume":"378","author":"Attard G. S.","year":"1995","journal-title":"Nature (London)"},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"3596","DOI":"10.1021\/ja963007i","volume":"119","author":"Firouzi A.","year":"1997","journal-title":"J. Am. Chem. Soc."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"6202","DOI":"10.1021\/la960054f","volume":"12","author":"Lee Y. S.","year":"1996","journal-title":"Langmuir"},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"687","DOI":"10.1016\/j.jcis.2004.10.065","volume":"284","author":"Albuquerque A.","year":"2005","journal-title":"J. Colloid Interface Sci."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"2603","DOI":"10.1021\/la981603f","volume":"15","author":"Zana R.","year":"1999","journal-title":"Langmuir"},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"9049","DOI":"10.1021\/la000295u","volume":"16","author":"Frasch J.","year":"2000","journal-title":"Langmuir"},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"4940","DOI":"10.1021\/la9602372","volume":"12","author":"Regev O.","year":"1996","journal-title":"Langmuir"},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"105","DOI":"10.1006\/jcis.1998.5413","volume":"201","author":"Galarneau A.","year":"1998","journal-title":"J. Colloid Interface Sci."},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"2151","DOI":"10.1002\/1521-3773(20020617)41:12<2151::AID-ANIE2151>3.0.CO;2-U","volume":"41","author":"Sadasivan S.","year":"2002","journal-title":"Angew. Chem., Int. Ed."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"16254","DOI":"10.1021\/jp053746y","volume":"110","author":"Beurroies I.","year":"2006","journal-title":"J. Phys. Chem. B"},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"874","DOI":"10.1016\/j.jcis.2006.02.040","volume":"299","author":"Vautier-Giongo C.","year":"2006","journal-title":"J. Colloid Interface Sci."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"7087","DOI":"10.1021\/jp9709621","volume":"101","author":"Zhang J.","year":"1997","journal-title":"J. Phys. Chem. B"},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"143","DOI":"10.1016\/S1387-1811(01)00337-7","volume":"48","author":"Zhang J.","year":"2001","journal-title":"Microporous Mesoporous Mater."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"5382","DOI":"10.1021\/jp014564g","volume":"106","author":"Zhang J.","year":"2002","journal-title":"J. Phys. Chem. B"},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"7807","DOI":"10.1021\/jp044538t","volume":"109","author":"Baute D.","year":"2005","journal-title":"J. Phys. Chem. B"},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"107","DOI":"10.1016\/S1359-0294(02)00012-2","volume":"7","author":"Patarin J.","year":"2002","journal-title":"Curr. Opin. Colloid Interface Sci."},{"key":"ref26\/cit26","first-page":"1413","volume":"13","author":"Bhattacharya A.","year":"2001","journal-title":"J. Phys.: Condens. Matter"},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"339","DOI":"10.1080\/08927020108031357","volume":"27","author":"Siperstein F. R.","year":"2001","journal-title":"Mol. Simul."},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"2049","DOI":"10.1021\/la026410d","volume":"19","author":"Siperstein F. 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Soc."},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"43","DOI":"10.1016\/0010-4655(95)00042-E","volume":"91","author":"Berendsen H. J. C.","year":"1995","journal-title":"Comput. Phys. Commun."},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"306","DOI":"10.1007\/s008940100045","volume":"7","author":"Lindahl E.","year":"2001","journal-title":"J. Mol. Model."},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"148","DOI":"10.1016\/0021-9991(74)90010-2","volume":"14","author":"Hockney R. W.","year":"1974","journal-title":"J. Comput. Phys."},{"key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"255","DOI":"10.1080\/00268978400101201","volume":"52","author":"Nos\u00e9 S.","year":"1984","journal-title":"Mol. Phys."},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"1695","DOI":"10.1103\/PhysRevA.31.1695","volume":"31","author":"Hoover W. G.","year":"1985","journal-title":"Phys. Rev. A"},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"7182","DOI":"10.1063\/1.328693","volume":"52","author":"Parrinello M.","year":"1981","journal-title":"J. Appl. Phys."},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"1463","DOI":"10.1002\/(SICI)1096-987X(199709)18:12<1463::AID-JCC4>3.0.CO;2-H","volume":"18","author":"Hess B.","year":"1997","journal-title":"J. Comput. Chem."},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"8577","DOI":"10.1063\/1.470117","volume":"103","author":"Essman U.","year":"1995","journal-title":"J. Chem. Phys."},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"5714","DOI":"10.1021\/la800291p","volume":"24","author":"Jorge M.","year":"2008","journal-title":"Langmuir"},{"key":"ref43\/cit43","doi-asserted-by":"crossref","first-page":"6269","DOI":"10.1021\/j100308a038","volume":"91","author":"Berendsen H. J. C.","year":"1987","journal-title":"J. Phys. Chem."},{"key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"1029","DOI":"10.1021\/jp972582l","volume":"102","author":"Boulougouris G. C.","year":"1998","journal-title":"J. Phys. Chem. B"},{"key":"ref45\/cit45","doi-asserted-by":"crossref","first-page":"17612","DOI":"10.1021\/jp076178q","volume":"111","author":"Jorge M.","year":"2007","journal-title":"J. Phys. Chem. C"},{"key":"ref46\/cit46","doi-asserted-by":"crossref","first-page":"2415","DOI":"10.1021\/jp710018q","volume":"112","author":"Jorge M.","year":"2008","journal-title":"J. Phys. Chem. B"},{"key":"ref47\/cit47","doi-asserted-by":"crossref","first-page":"2174","DOI":"10.1021\/j100401a037","volume":"90","author":"Jorgensen W. L.","year":"1986","journal-title":"J. Phys. Chem."},{"key":"ref48\/cit48","doi-asserted-by":"crossref","first-page":"2126","DOI":"10.1063\/1.469563","volume":"102","author":"Smit B.","year":"1995","journal-title":"J. Chem. 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