Modeling cation/anion-water interactions in functional aluminosilicate structures

Journal of Molecular Graphics - Tập 13 - Trang 28-35 - 1995
Antony J. Richards1,2,3, Paul Barnes1, David R. Collins1,4, Fotis Christodoulos3, Simon M. Clark1,5
1Industrial Materials Group, Department of Crystallography, Birkbeck College, London, U.K.
2British Gas plc, Research and Technology Division, London Research Station, London, U.K.
3Molecular Simulations, 240/250 The Quorum, Cambridge, U.K.
4Commission of the European Communities, Joint Research Centre, Institute for Systems Engineering and Informatics, Ispra, Italy
5Daresbury Laboratory, Warrington, U.K.

Tài liệu tham khảo

Aloisi, 1990, J. Chem. Phys., 93, 3573, 10.1063/1.458789 Catlow, 1982 Ewald, 1921, Ann. Physik., 64, 253, 10.1002/andp.19213690304 Tosi, 1964, Solid State Phys., 16, 1, 10.1016/S0081-1947(08)60515-9 Dick, 1958, Phys. Rev., 112, 90, 10.1103/PhysRev.112.90 Sanders, 1984, J. Chem. Soc. Chem. Commun., 112, 1271, 10.1039/c39840001271 Leslie, 1993 Breck, 1974 Pluth, 1983, J. Am. Chem. Soc., 105, 1192, 10.1021/ja00343a019 Jackson, 1988, Mol. Simul., 1, 207, 10.1080/08927028808080944 Barnes, 1983 Jeffery, 1952, Acta Cryst., 5, 26, 10.1107/S0365110X52000083 Golovastikov, 1975, Sov. Phys. Cryst., 20, 441 Richards, 1995, Data Visualization in Molecular Science Adams, 1983, Clay Clay Miner., 31, 353 Suitch, 1983, Clay Clay Miner., 31, 357, 10.1346/CCMN.1983.0310505 Young, 1988, Clay Clay Miner., 36, 225, 10.1346/CCMN.1988.0360303 Bish, 1989, Clay Clay Miner., 37, 289, 10.1346/CCMN.1989.0370401 Collins, 1991, Acta Cryst., B47, 678, 10.1107/S010876819100561X Saul, 1985, Philos. Mag., B51, 107, 10.1080/13642818508240555 Richards, 1992, Mol. Simul., 9, 311, 10.1080/08927029208049123 Jorgensen, 1983, J. Chem. Phys., 79, 926, 10.1063/1.445869 Richards, 1992 Dyer, 1988 O'Connor, D.J. and Barnes. private communication (1994) Dooryhee, 1990, 89, 119 Dooryhee, 1991, J. Phys. Chem., 95, 4514, 10.1021/j100164a062 CERIUS: Molecular Modeling Software for Materials Research. Molecular Simulations, Inc., Burlington, MA, U.S.A., and Cambridge, U.K. Connolly, 1983, Science, 221, 709, 10.1126/science.6879170 Connolly, 1983, J. Appl. Cryst., 16, 548, 10.1107/S0021889883010985