Chapter 6 Electronic structure and reactivity in double Rydberg anions: characterization of a novel kind of electron pair

Theoretical and Computational Chemistry

Volumn 19, Issue , 2007, Pages 87-100

  Melin, Junia ^a   Seabra, Gustavo ^a   Ortiz, J V ^a  

^a KANSAS STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 44649190647     PISSN: 13807323     EISSN: None     Source Type: Book Series    
DOI: 10.1016/S1380-7323(07)80007-0     Document Type: Article

References (38)

1. Coe J.V., Snodgrass J.T., Freidhoff C.B., McHugh K.M., and Bowen K.H. J. Chem. Phys. 83 (1985) 3169
2. Snodgrass J.T., Coe J.V., Freidhoff C.B., McHugh K.M., and Bowen K.H. Faraday Disc. Chem. Soc. 86 (1988) 241
3. Ortiz J.V. J. Chem. Phys. 87 (1987) 3557
4. Simons J., and Gutowski M. Chem. Rev. 91 (1991) 669
5. Cardy H., Larrieu C., and Dargelos A. Chem. Phys. Lett. 131 (1986) 507
6. Cremer D., and Kraka E. J. Phys. Chem. 90 (1986) 33
7. Gutowski M., Simons J., Hernandez R., and Taylor H.L. J. Phys. Chem. 92 (1988) 6179
8. Gutowski M., and Simons J. J. Chem. Phys. 93 (1990) 3874
9. Ortiz J.V. J. Chem. Phys. 91 (1989) 7024
10. Ortiz J.V. J. Phys. Chem. 94 (1990) 4762
11. Matsunaga N., and Gordon M.S. J. Phys. Chem. Vol. 99 (1995) 12773
12. Moc J., and Morokuma K. Inorg. Chem. 33 (1994) 551
13. Trinquier G., Daudey J.P., Caruana G., and Madaule Y. J. Am. Chem. Soc. 106 (1984) 4794
14. Hopper H., Lococo M., Dolgounitcheva O., Zakrzewski V.G., and Ortiz J.V. J. Am. Chem. Soc. 122 (2000) 12813
15. Boldyrev A.I., and Simons J. J. Chem. Phys. 97 (1992) 6621
16. Boldyrev A.I., and Simons J. J. Phys. Chem. 96 (1992) 8840
17. Wright J.S., and McKay D. J. Phys. Chem. 100 (1996) 7392
18. Boldyrev A.I., and Simons J. J. Phys. Chem. A 103 (1999) 3575
19. Xu S.J., Niles J.M., Hendricks J.H., Lyapustina S.A., and Bowen K.H. J. Chem. Phys. 117 (2002) 5742
20. Ortiz J.V. J. Chem. Phys. 117 (2002) 5748
21. Becke A.D., and Edgecombe K.E. J. Chem. Phys. 92 (1990) 5397
22. Savin A., Becke A.D., Flad J., Nesper R., Preuss H., and Schnering H.V. Angew. Chem. Int. Ed. Engl. 30 (1991) 409
23. Savin A., Jepsen O., Flad J., Nesper R., Andersen O.K., Preuss H., and Schnering H.G.V. Angew. Chem. 31 (1992) 187
24. Chamorro E., Santos J.C., Gomez B., Contreras R., and Fuentealba P. J. Chem. Phys. 114 (2001) 23
25. Fuentealba P., and Savin A. J. Chem. Phys. A 105 (2001) 11531
26. Melin J., and Fuentealba P. Int. J. Quant. Chem. 92 (2003) 381
27. Ortiz J.V. Adv. Quant. Chem. 33 (1999) 35
28. Ferreira A.M., Seabra G., Dolgounitcheva O., Zakrzewski V.G., and Ortiz J.V. In: Cioslowski J. (Ed). Quantum Mechanic Predictions of Thermochemistry Data (2001), Kluwer, Dordrecht 131
29. Linderberg J., and Öhrn Y. Propagators in Quantum Chemistry. Second Edition (2004), Wiley, Hoboken, New Jersey
30. Ortiz J.V. In: Leszczynski J. (Ed). Computational Chemistry: Reviews of Quantum Current Trends Vol 2 (1997), World Scientific, Singapore 1
31. Savin A., Silvi B., and Colonna F. Can. J. Chem. 30 (1996) 1088
32. Silvi B., and Savin A. Nature 371 (1997) 683
33. Bader R.F.W. In: Chavet O., et al. (Ed). Localization and Delocalization in Quantum Chemistry (1976), Riedel, Dordrecht
34. Gaussian 03, Revision B.03, M. J. Frisch, G. W. Trucks, H. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, Jr., J. A. Montgomery,T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabu K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, J. A. Pople, Gaussian, Inc., Pittsburgh PA, 2003.
35. Noury S., Krokisdis X., Fuster F., and Silvi B. Comput. Chem. Oxford. 23 (1999) 597
36. Hibbard B., Kellum J., and Paul B. vis 5d, version 5.2: Visualization Project (1990), University of Wisconsin-Madison Space Science and Engineering Center
37. Gonzalez C., and Schlegel H.B. J. Chem. Phys. 90 (1989) 2154
38. Gonzalez C., and Schlegel H.B. J. Chem. Phys. 94 (1990) 5523