Ring currents and magnetic properties of the cyclopropenyl cation and isoelectronic triangular 2π electron systems

Molecular Physics

Volumn 91, Issue 3, 1997, Pages 401-412

  Fowler, Patrick W ^a   Steiner, Erich ^a   Cernusak, Ivan ^a  

^a Physics and Informatics   (Slovakia)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0041699423     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/002689797171292     Document Type: Article

References (42)

1. Radom, L., Hariharan, P. C., Pople, J. A., and von Schleyer, P. R., 1976. J. Amer. chem. Soc., 98:10
2. Breslow, R., Groves, J. T., and Ryan, G., 1967. J. Amer. chem. Soc., 89:5048
3. Breslow, R., and Groves, J. T., 1970. J. Amer. chem. soc., 92:984
4. Xie, Y., and Boggs, J. E., 1989. J. chem. Phys., 90:4320
5. Garratt, P. J., 1986. Aromaticity, New York:Wiley.
6. Minkin, V. J., Glukhovtsev, M. N., and Simkin, B. Y., 1994. Aromaticity and Antiaromaticity:Electronic and Structural Aspects, New York:Wiley.
7. Fowler, P. W., and Steiner, E., 1997. J. phys. Chem., 101:1409
8. Byun, Y.-G., Saebo, S., and Pittman, C. U., 1991. J. Amer. chem. Soc., 113:3689
9. Volπn, M. E., Koreshkov, Y. D., Dulova, V. G., and Kursanov, D. N., 1962. Tetrahedron, 18:107
10. Harland, P. W., Maclagan, R. G. A. R., and Schaefer, H. F., III. 1989. J. chem. Soc. Faraday Trans ii, 85:187
11. Krogh-Jespersen, K., Cremer, D., Dill, J. D., Pople, J. A., Schleyer, P., and von, R., 1981. J. Amer. chem. Soc., 103:2589
12. Černušák, I., Beck, S., and Bartlett, R. J., 1992. J. Phys. Chem., 96:10284
13. Budzelaar, P. H. M., Schleyer, P., and von, R., 1986. J. Amer. chem. Soc., 108:3967
14. Amos, R. D., and Rice, J. E., 1987. The Cambridge Analytical Derivatives Package. issue 4.0
15. Lazzeretti, P., and Zanasi, R., Sysmo (University of Modena). Some additional routines for evaluation and plotting of current density were written in Exeter
16. McWeeny, R., 1971. Chem. Phys. Lett., 9:341
17. Chan, S. I., and Das, T. P., 1962. J. chem. Phys., 37:1527
18. Sadlej, A. J., 1976. Acta Phys. Polon. A, 49:666
19. Kutzelnigg, W., 1980. Israel J. Chem., 19:193
20. Schindler, M., and Kutzelnigg, W., 1982. J. chem. Phys., 76:1919
21. London, F., 1937. J. Phys. Radium, 8:397
22. Edwards, T. G., and McWeeny, R., 1971. Chem. Phys. Lett., 10:283
23. Ditchfield, R., 1974. Molec. Phys., 27:789
24. Keith, T. A., and Bader, R. F. W., 1993. Chem. Phys. Lett., 210:223
25. Lazzeretti, P., Malagoli, M., and Zanasi, R., 1994. Chem. Phys. Lett., 220:299
26. Coriani, S., Lazzeretti, P., Malagoli, M., and Zanasi, R., 1994. Theoret. Chim. Acta, 89:181
27. Zanasi, R., Lazzeretti, P., Malagoli, M., and Piccinini, F., 1995. J. chem. Phys., 102:7150
28. Lazzeretti, P., Malagoli, M., and Zanasi, R., 1991. J. molec. Struct. Theochem, 234:127
29. van Duijneveldt, F. B., 1971. IBM Res. Rept. RJ945
30. Dunning, T. H., 1971. J. chem. Phys., 55:3958
31. Lazzeretti, P., and Tossell, J. A., 1991. J. molec. struct. Theochem, 236:403
32. Lazzeretti, P., and Zanasi, R., 1981. Chem. Phys. Lett., 80:533
33. Lazzeretti, P., and Zanasi, R., 1981. J. chem. Phys., 75:5019
34. Bader, R. F. W., and Keith, T. A., 1993. J. chem. Phys., 99:3683
35. Lazzeretti, P., Malagoli, M., and Zanasi, R., 1995. J. Chem. Phys., 102:9619
36. Fleischer, U., Kutzelnigg, W., Lazzeretti, P., and Mühlenkamp, V., 1994. J. Amer. chem. Soc., 116:5296
37. Olah, G. A., Bollinger, J. M., and White, A. M., 1969. J. Amer. chem. Soc., 91:3667
38. Stothers, J. B., 1972. Carbon-13 NMR Spectroscopy, New York:Academic Press.
39. Garrat, P. J., and Sargent, M. V., 1971. Nonbenzenoid Aromatics, Edited by:Snyder, J. P., Vol. II, New York:Academic Press.
40. Tavger, B. A., and Saitsev, V. M., 1956. Sov. Phys. JETP, 3:430
41. Lazzeretti, P., Malagoli, M., and Zanasi, R., 1993. Nuclear Magnetic Shielding and Molecular Structure, 163Dordrecht:Kluwer.
42. Fowler, P. W., Zanasi, R., Cadioli, B., and Steiner, E., 1996. Chem. Phys. Lett., 251:132