Atoms in Molecules

Accounts of Chemical Research

Volumn 18, Issue 1, 1985, Pages 9-15

  Bader, R F W ^a  

^a MCMASTER UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0002928871     PISSN: 00014842     EISSN: 15204898     Source Type: Journal    
DOI: 10.1021/ar00109a003     Document Type: Article

References (15)

1. Goddard, J. D.; Osamura, Y.; Schaefer, F., III, J. Am. Chem. Soc. 1982, 104, 3258.
2. Bader, R. F. W.; Nguyen-Dang, T. T. Adv. Quantum Chem. 1981, 14, 63.
3. Bader, R. F. W.; Nguyen Dang, T. T.; Tal, Y. Rep. Prog. Phys. 1981, 44, 893.
4. Bader, R. F. W.; Essen, H. J. Chem. Phys. 1984, 80, 1943.
5. Bader, R. F. W.; MacDougall, P. J.; Lau, C. D. H. J. Am. Chem. Soc. 1984, 106, 1594.
6. Grob, C. A. Acc. Chem. Res. 1983 16, 426. Brown, H. C. Acc. Chem. Res. 1983,16,432. Olah, G. A.; Surya Prakash, G. K.; Saunders, M. Acc. Chem. Res. 1983, 16, 440. Walling, C. Acc. Chem. Res. 1983, 16 448.
7. Schwinger, J. Phys. Rev. 1951, 82, 914.
8. Palis, J.; Smale, S. Pure Math. 1970, 14, 223.
9. Thom, R. "Structural Stability and Morphogenesis"; Benjamin: Reading, MA, 1975. Poston, T.; Stewart, I. N. "Castrophe Theory and its Applications"; Pitman: London, 1978.
10. It is important that one distinguish between molecule structure and molecular geometry. Structure is generic and persists over nuclear motions. The present definition of structure prevails beyond the Born-Oppenheimer approximation. A state function not associated with a specific molecular geometry is still associated with a specific structure. Molecular geometry on the other hand is not generic-any change in position of a nucleus gives a new geometry. The notion of a molecular geometry does not survive beyond the fixed nucleus approximation to (Bader, R. F. W.; Tal, Y.; Anderson, S. G.; Nguyen-Dang, T. T. Isr. J. Chem. 1980, 19, 8.)
11. Yoshimine, M.; McLean, A. D.; Liu, B. J. Am. Chem. Soc. 1983, 705, 6185.
12. Saunders, M.: Kates, M. R. J. Am. Chem. Soc. 1980, 102. 6868.
13. Bader, R. F. W.; Slee, T. S.; Cremer, D.; Kraka, E. J. Am. Chem. Soc. 1983, 105, 5061. Cremer, D.; Kraka, E.; Slee, T. S.; Bader, R. F. W.; Lau, C. D. H.; Nguyen-Dang, T. T.; MacDougall, P. J. J. Am. Chem. Soc. 1983, 105, 5069.
14. Gillespie, R. J. "Molecular Geometry"; Van Nostrand-Reinhold: London, 1972.
15. Bader, R. F. W. Acc. Chem. Res. 1975, 8, 34.