Theoretical study of silicon-sulfur clusters (SiS2)n - (n = 1-6)

International Journal of Quantum Chemistry

Volumn 81, Issue 4, 2001, Pages 280-290

  Wang, Su Fan ^a   Feng, Ji Kang ^a   Sun, Chia Chung ^a   Liu, Peng ^b   Gao, Zhen ^b   Kong, Fan Ao ^b  

^a JILIN UNIVERSITY   (China)

^b INSTITUTE OF CHEMISTRY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; OPTIMIZATION; PROBABILITY DENSITY FUNCTION; SILICON COMPOUNDS; SPECTRUM ANALYSIS;

ELECTRON CORRELATION;

QUANTUM THEORY;

EID: 0035253146     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/1097-461X(2001)81:4<280::AID-QUA5>3.0.CO;2-E     Document Type: Article

References (28)

1. Raghavachari, K.; Rohlfing, C. M. J Chem Phys 1988, 89, 2219-2234.
2. Rohlfing, C. M.; Raghavachari, K. J Chem Phys 1992, 96, 2114-2117.
3. Kishi, R.; Iwata, S.; Nakajima, A.; Kaya, K. J Chem Phys 1997, 107, 3056-3070.
4. Kishi, R.; Kawamata, H.; Negishi, Y.; Iwata, S.; Nakajima, A.; Kaya, K. J Chem Phys 1997, 107, 10029-10043.
5. Kishi, R.; Negishi, Y.; Kawamata, H.; Iwata, S.; Nakajima, A.; Kaya, K. J Chem Phys 1998, 108, 8039-8058.
6. Harkless, J. A. W.; Stillinger, D. K.; Stillinger, F. H. J Phys Chem 1996, 100, 1098-1103.
7. Wang, L.-S.; Nicholas, J. B.; Dupuis, M.; Wu, H.-B.; Colson, S. D. Phys Rev Lett 1997, 78, 4450-4453.
8. Nayak, S. K.; Rao, B. K.; Khanna, S. N.; Jena, P. J Chem Phys 1998, 109, 1245-1250.
9. Hohl, D.; Jones, R. O.; Car, R.; Parrinello, M. J Chem Phys 1988, 89, 6823-6835.
10. Raghvachari, K.; Rohlfing, C. M.; Binkley, J. S. J Chem Phys 1990, 93, 5862-5874.
11. Sanov, A.; Lineberger, W. C.; Jordan, K. D. J Phys Chem 1998, 102, 2509-2511.
12. Meayama, T.; Oikawa, T.; Tohru, M. N. J Chem Phys 1998, 108, 1368-1376.
13. Bagatur'yants, A. A.; Safanov, A. A.; Stoll, H.; Werner, H.-J. J Chem Phys 1998, 109, 3096-3107.
14. Cui, M.; Feng, J.-K.; Ge, M.-F.; Wang, S.-F.; Sun, C.-C. Chem J Chinese Universities 1999, 20, 436-439.
15. Li, J.-Q.; Zhang, Y.-F.; Huang, Z.-X.; Wu, L. M.; Zhou, L.-X.; Lu, S.-F. Theochem 1998, 429, 237-246.
16. Hay, P. J.; Wadt, W. R. J Chem Phys 1985, 82, 270-283.
17. Wadt, W. R.; Hay, P. J. J Chem Phys 1985, 82, 284-298.
18. Hay, P. J.; Wadt, W. R. J Chem Phys 1985, 82, 299-310.
19. Ditchfield, R.; Hehre, W. J.; Pople, J. A. J Chem Phys 1971, 54, 724-728.
20. Hehre, W. J.; Ditchfield, R.; Pople, J. A. J Chem Phys 1972, 56, 2257-2261.
21. Hariharan, P. C.; Pople, J. A. Theo Chim Acta 1973, 28, 213-222.
22. Gordon, M. S. J Chem Phys 1980, 76, 163-172.
23. Hariharan, P. C.; Pople, J. A. Mol Phys 1974, 27, 209-215.
24. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Petersson, G. A.; Montgomery, T. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. Gaussian 94, Revision E.2; Gaussian: Pittsburgh, 1995.
25. King, R. A.; Galbraith, J. M.; Schaefer, H. F. J Phys Chem 1996, 100, 6061-6068.
26. Preilla-Márquez, J. D.; Rittby, C. M. L.; Graham, W. R. M. J Chem Phys 1997, 106, 8367-8373.
27. Redondo, P.; Sagüilo, A.; Largo, A. J Phys Chem 1998, 102, 3953-3958.
28. Bauschlicher, C. W.; Ricca, A. J Phys Chem 1998, 102, 4722-4727.