An ab initio quantum chemical comparative study of possible additive rules and linear relations in parent and extended sulfur diimide families

Theoretical Chemistry Accounts

Volumn 117, Issue 1, 2007, Pages 153-161

  Shahbazian, Shant ^a   Firouzi, Rohoullah ^a   Zahedi, Mansour ^a  

^a SHAHID BEHESHTI UNIVERSITY   (Iran)

Author keywords

Ab initio; Additive rules; Density functional theory; Linear relations; Sulfur diimides

Indexed keywords

EID: 33751257499     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-006-0159-4     Document Type: Article

References (40)

1. Rouvray DH (1995) Top Curr Chem 173:1
2. Bader RFW (1990) Atoms inmolecules: a quantum theory. Clarendon Press, Oxford
3. Bader RFW (1994) Phys Rev B 49:13348
4. Bader RFW, Popelier PLA, Keith TA (1994) Angew Chem Int Ed 33:620
5. Bader RFW, Bayles D (2000) J Phys Chem A 104:5579
6. Prosen EJ, Johnson WH, Rossini FD (1946) J Res Natl Bur Stand 37:51
7. Benson SW, Cruickshank FR, Golden DM, Haugen GR, O'Neal HE, Rodgers AS, Shaw R, Walsh R (1969) Chem Rev 69:279
8. Cohen N, Benson SW (1993) Chem Rev 93:2419
9. Pascal P (1910) Ann Chim Phys 19:5
10. Pascal P, Gallais F, Labarre SF (1961) Acad Sci 252:2644
11. Bader RFW, Martin FJ (1998) Can J Chem 76:284
12. Neugebauer A, Häfelinger G (2002) J Phys Org Chem 15:677
13. Cortés-Guzmán F, Bader RFW (2004) J Phys Org Chem 17:95
14. Frisch MJ et al (1998) Gaussian 98, revision A9 Gaussian; Pittsburgh
15. Dunning TH Jr (1989) J Chem Phys 90:1007
16. Davidson ER (1996) Chem Phys Lett 220:514
17. Zahedi M, Shahbazian Sh, Ng SW (2003) J Mol Struct (Theochem) 629:91
18. Zahedi M, Shahbazian Sh, Ng SW (2003) J Mol Struct (Theochem) 636:229
19. Shahbazian Sh, Zahedi M, Ng SW (2004) J Mol Struct (Theochem) 673:211
20. Shahbazian Sh, Zahedi M (2004) J Mol Struct (Theochem) 683:195
21. Shahbazian Sh, Zahedi M, Ng SW (2004) J Mol Spec 223:195
22. Shahbazian Sh, Zahedi M (in preparation)
23. Koch W, Holthausen MC (2002) A chemist's guide to density functional theory, Wiley-VCH, Weinheim
24. Slater JC (1974) Quantum theory of molecular and solids. The self-Consistent field for molecular and solids, vol 4, McGraw-Hill, New York
25. Lee C, Yang W, Parr RG (1988) Phys Rev B 37:785
26. Miehlich B, Savin A, Stoll H, Preuss H (1989) Chem Phys Lett 157:200
27. Zhuo S, Wei J, Si W, Ju G (2004) J Chem Phys 120:2575
28. Graña AM, Mosquera RA (1999) J Chem Phys 110:6606
29. Vila A, Carballo E, Mosquera RA (2000) Can J Chem 78:1535
30. Graña AM, Mosquera RA (2000) J Chem Phys 113:1492
31. Vila A, Mosquera RA (2001) J Chem Phys 115:1264
32. López JL, Mandado M, Graña AM, Mosquera RA (2002) Int J Quantum Chem 86:190
33. Lorenzo L, Mosquera RA (2002) Chem Phys Lett 356:305
34. Vila A, Carballo E, Mosquera RA (2002) JMol Struct (Theochem) 617:219
35. Mandado M, Graña AM, Mosquera RA (2002) J Mol Struct (Theochem) 584:221
36. Quiñónez PB,Vila A, Graña AM, Mosquera RA (2003) Chem Phys 287:227
37. Sajadi A et al (in preparation)
38. Mandado M, Vila A, Graña AM, Mosquera RA, Cioslowski J (2003) Chem Phys Lett 371:739
39. Cortés-Guzmán F, Bader RFW (2003) Chem Phys Lett 379:183
40. Shahbazian Sh, Sajadi A (in preparation)