Structural correspondences between the low-energy nanoclusters of silica and water

Journal of Physical Chemistry C

Volumn 112, Issue 47, 2008, Pages 18417-18425

  Bromley, Stefan T ^a,b   Bandow, Bernhard ^c   Hartke, Bernd ^d  

^a UNIVERSITY OF BARCELONA   (Spain)

^b INSTITUCIÓ CATALANA DE RECERCA I ESTUDIS AVANÇATS ICREA   (Spain)

^c LEIBNIZ UNIVERSITY HANNOVER   (Germany)

^d UNIVERSITY OF KIEL   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC PHYSICS; ATOMS; GROUND STATE; HYDRATES; ISOMERS; NANOCLUSTERS; SILICA; SILICON; SILICON COMPOUNDS; SYSTEM STABILITY; TOPOLOGY;

AMORPHOUS CLUSTERS; BONDING CHARACTERISTICS; CLATHRATES; ENERGETIC STABILITIES; EVEN NUMBERS; GROUNDSTATE STRUCTURES; PENTA PRISMS; SIZE RANGES; STATE CLUSTERS; STRUCTURAL DECOMPOSITIONS; STRUCTURAL PREFERENCES; TETRAHEDRALLY COORDINATED; WATER CLUSTERS;

CRYSTAL ATOMIC STRUCTURE;

EID: 57549095173     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp806780w     Document Type: Article

References (39)

1. Vedamuthu, M.; Singh, S.; Robinson, G. W. J. J. Phys. Chem. 1994, 98, 2222-2230.
2. Angell, C. A.; Kanno, H. Science 1976, 193, 1121.
3. Mishima, O.; Calvert, L. D.; Whalley, E. Nature 1985, 314, 76.
4. Lacks, D. J. Phys. Rev. Lett. 2001, 86, 3207.
5. Angell, C. A.; Cheeseman, P. A.; Tamaddon, S. Science 1982, 218, 885.
6. Tsuneyuki, S.; Matsui, Y. Phys. Rev. Lett. 1995, 74, 3197.
7. Saika-Voivod, I.; Poole, P. H.; Sciortino, F. Nature 2001, 412, 513.
8. Ito, K.; Moynihan, C. T.; Angell, G A. Nature 1998, 396, 329.
9. Koh, C. A. Chem. Soc. Rev 2002, 31, 157-167.
10. Baerlocher, Ch. Lynne, B. McCusker, D. Olson, D. H. Atlas of Zeolite Framework Types, 6th ed.; Elsevier: The Netherlands, 2007.
11. Hartke, B. J. Comput. Chem. 1999, 20, 1752.
12. Hartke, B. Z. Phys. Chem 2000, 214, 1251.
13. Hartke, B. Phys. Chem. Chem. Phys. 2003, 5, 275.
14. Bandow, B.; Hartke, B. J. Phys. Chem. A 2006, 110, 5809.
15. Burnham, G. J.; Xantheas, S. S. J. Chem. Phys. 2002, 116, 5115.
16. Fanourgakis, G. S.; Apra, E.; Xantheas, S. S. J. Chem. Phys. 2004, 121, 2655.
17. Hartke, B. Phys. Chem. Chem. Phys. 2003, 5, 275.
18. Lagutschenkov, A.; Fanourgakis, G. S.; Niedner-Schatteburg, G.; Xantheas, S. S. J. Chem. Phys. 2005, 122, 194310.
19. (a) Ahlrichs, R.; Bär, M.; Häser, M.; Horn, H.; Kölmel, G Chem. Phys. Lett. 1989, 162, 165.
20. (b) Deglmann, P.; May, K.; Furche, F.; Ahlrichs, R. Chem. Phys. Lett. 2004, 384, 103.
21. MOLPRO, version 2006.1, a package of ab initio programs. Werner, H.-J. Knowles, R. Lindh, M. Schutz, P. Celani, T. Korona, F. R. Manby, G. Rauhut, R. D. Amos, A. Bemhardsson, A. Berning, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, C. Hampel, C. and Hetzer, A. W. Lloyd, S. J. McNicholas, W. Meyer, W. and Mura, A. Nicklass, P. Palmieri, R. Pitzer, U. Schumann, H. Stoll, A. J. Stone, R. Tarroni, R.; Thorsteinsson, T. See http://www.molpro.net.
22. Wales, D. J.; Doye, J. P. K. J. Phys. Chem. 1997, 101, 5111.
23. Doye, J. P. K.; Wales, D. J. Phys. Rev. Lett. 1998, 80, 1357.
24. Flikkema, E.; Bromley, S. T. Chem. Phys. Lett. 2003, 378, 622.
25. Flikkema, E.; Bromley, S. T. J. Phys. Chem. B 2004, 108, 9638.
26. Bromley, S. T.; Illas, F. Phys. Chem. Chem. Phys. 2007, 9, 1078.
27. Bromley, S. T.; Flikkema, E. Phys. Rev. Lett. 2005, 95, 185505.
28. Tsuneyuki, S.; Tsukada, M.; Aoki, H.; Matsui, Y. Phys. Rev. Lett 1988, 61, 869.
29. Bromley, S. T. Phys. Stat. Sol. A 2006, 203, 1319.
30. Guest, M. F.; Bush, I. J.; van Dam, H. J. J.; Sherwood, P.; Thomas, J. M. H.; van Lenthe, J. H.; Havenith, R. W. A.; Kendrick, J. Mol. Phys. 2005, 103, 719.
31. Stephens, P. J.; Devlin, F. J.; Chabalowski, C. F.; Frisch, M. J. J. Phys. Chem. 1994, 98, 11623.
32. Chu, T. S.; Zhang, R. Q.; Cheung, H. F. J. Phys. Chem. B 2001, 105, 1705.
33. Zwijnenburg, M. A.; Sokol, A. A.; Sousa, C.; Bromley, S. T. J. Chem. Phys. 2008, 129, 014706.
34. Hamad, S. Bromley, S. T. Chem. Commun. 2008, 4156.
35. Wragg, D. S.; Morris, R. E.; Burton, A. W. Chem. Mater. 2008, 20, 1561.
36. Errington, J. R.; Debenetti, P. G. Nature 2001, 409, 318.
37. Shell, M. S.; Debenetti, P. G.; Pangiotopopoulos, A. Z. Phys. Rev. E 2002, 66, 011202.
38. Khan, A. J. Molec. Struct.: Theochem 2003, 664-665, 237.
39. Hartke, B. Chem. Phys. 2008, 346, 286.