The topological analysis of electronic charge densities: A reassessment of foundations

Journal of Molecular Structure: THEOCHEM

Volumn 869, Issue 1-3, 2008, Pages 53-58

  Nasertayoob, Payam ^a   Shahbazian, Shant ^a  

^a SHAHID BEHESHTI UNIVERSITY   (Iran)

Author keywords

Average electronic charge density; Control space; Dynamical systems; One electron charge density; Topological analysis

Indexed keywords

EID: 54249129236     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2008.08.024     Document Type: Article

References (45)

1. Collard K., and Hall G.G. Int. J. Quantum Chem. 12 (1977) 623
2. Bader R.F.W. Acc. Chem. Res. 8 (1975) 34
3. Bader R.F.W., Anderson S.G., and Duke A.J. J. Am. Chem. Soc. 101 (1979) 1389
4. Bader R.F.W., Nguyen-Dang T.T., and Tal Y. J. Chem. Phys. 70 (1979) 4316
5. Bader R.F.W. J. Chem. Phys. 73 (1980) 2871
6. Tal Y., Bader R.F.W., Nguyen-Dang T.T., and Anderson S.G. J. Chem. Phys. 74 (1981) 5162
7. Bader R.F.W., Tal Y., Anderson S.G., and Nguyen-Dang T.T. Isr. J. Chem. 19 (1980) 8
8. Nguyen-Dang T.T., and Bader R.F.W. Physica A 114 (1982) 68
9. Bader R.F.W., Nguyen-Dang T.T., and Tal Y. Rep. Prog. Phys. 44 (1981) 893
10. Bader R.F.W. Atoms in Molecules: A Quantum Theory (1990), Oxford University Press, Oxford, UK
11. Bader R.F.W., and Nguyen-Dang T.T. Adv. Quantum Chem. 14 (1981) 63
12. Matta C.F., Hernandez-Trujillo J., Tang T.-H., and Bader R.F.W. Chem. Eur. J. 9 (2003) 1940
13. Porter J., Sola M., and Bickelhaupt F.M. Chem. Eur. J. 12 (2006) 2889
14. Bader R.F.W. Chem. Eur. J. 12 (2006) 2896
15. Porter J., Sola M., and Bickelhaupt F.M. Chem. Eur. J. 12 (2006) 2902
16. Poater J., Visser R., Sola M., and Bickelhaupt F.M.J. Org. Chem. 72 (2007) 1134
17. Haaland A., Shorokhov D.J., and Tverdova N.V. Chem. Eur. J. 10 (2004) 4416
18. Haaland A., Shorokhov D.J., and Tverdova N.V. Chem. Eur. J. 10 (2004) 6210
19. Bader R.F.W., and Fang D.-C. J. Chem. Theory Comput. 1 (2005) 403
20. Becke A.D., and Edgecombe K.E. J. Chem. Phys. 92 (1990) 5397
21. Savin A., Jepsen O., Flad J., Anderson O.K., Presuss H., and Schnering H.G. Angew. Chem. Int. Ed. 31 (1992) 683
22. Silvi B., and Savin A. Nature 371 (1994) 893
23. Krokidis X., Noury S., and Silvi B. J. Phys. Chem. A 101 (1997) 7277
24. Berski S., Andrés J., Silvi B., and Domingo L. J. Phys. Chem. A 107 (2003) 6014
25. Tal Y., Bader R.F.W., and Erkku J. Phys. Rev. A 21 (1980) 1
26. Keith T.A., Bader R.F.W., and Aray Y. Int. J. Quantum Chem. 57 (1996) 183
27. Bader R.F.W., MacDougall P.J., and Lau C.D.H. J. Am. Chem. Soc. 106 (1984) 1594
28. Bader R.F.W., Gillespie R.J., and MacDougall P.J. J. Am. Chem. Soc. 110 (1988) 7329
29. Popelier P.L.A. Coord. Chem. Rev. 197 (2000) 169
30. Mezey P.G. Theor. Chim. Acta 58 (1981) 309
31. Mezey P.G. Potential Energy Hyper-surfaces (1987), Elsevier, Amsterdam
32. Korsch H.J., and Jodi H.-J. Chaos; a program collection for the PC (1998), Springer-Verlag
33. Arnold V.I. Ordinary Differential Equation (1973), MIT Press
34. Broer H.W., Dumortier F., van Strien S.J., and Takens F. Structures in Dynamics - Studies in Mathematical Physics vol. 2 (1991), Elsevier Science Publishing Company, North-Holland
35. Robinson C. Dynamical Systems, Stability Symbolic Dynamics and Chaos (1994), CRC press
36. R. Thom, Structural stability and morphogenesis (W.A. Benjamin, Reading, Massachusetts, 1975).
37. Palis J., and Smale S. Proc. Symp. Pure Math. Am. Math. Soc. 14 (1970) 223
38. Poston T., and Stewart I. Catastrophe Theory and its Applications (1978), Pitman, London
39. Milnor J. Morse Theory Annals of Mathematics Studies vol. 51 (1963), Princeton University
40. Tsirelson V.G., and Ozerov R.P. Electron Density and Bonding in Crystals (1996), Institute of Physics Publishing, Bristol
41. Coppens P. X-ray Charge Densities and Chemical Bonding (1997), Oxford University Press, Oxford
42. Koritsanszky T.S., and Coppens P. Chem. Rev. 101 (2001) 1583
43. Gatti C. Z. Kristallogr. 220 (2005) 399
44. Stewart R.F. In: Jeffery G.A., and Piniella J.F. (Eds). The Applications of Charge Density Research to Chemistry and Drug Design (1991), Plenium Press, New York
45. Popelier P.L.A. Struct. Bond. 115 (2005) 1