Structures and stabilities of non-linear VCn+/- (n = 1-8) clusters

International Journal of Mass Spectrometry

Volumn 263, Issue 1, 2007, Pages 101-112

  Redondo, Pilar ^a   Barrientos, Carmen ^a   Largo, Antonio ^a  

^a UNIVERSITY OF VALLADOLID   (Spain)

Author keywords

Density functional; Electron affinity; Ionization potential; Molecular property; Vanadium doped carbon cluster

Indexed keywords

EID: 34147105073     PISSN: 13873806     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijms.2007.01.006     Document Type: Article

References (54)

1. Iijima S., and Ichihashi T. Nature 363 (1993) 603-605
2. Wei S., Guo B.C., Purnell J., Buzza S., and Castleman A.W. Science 256 (1992) 818-820
3. Wei S., Guo B.C., Purnell J., Buzza S., and Castleman A.W. J. Phys. Chem. 96 (1992) 4166-4168
4. Pilgrim J.S., and Duncan M.A. J. Am. Chem. Soc. 115 (1993) 6958-6961
5. Rohmer M.M., Benard M., and Poblet J.M. Chem. Rev. 100 (2000) 495-542
6. Guo B.C., Kearns K.P., and Castleman A.W. Science 225 (1992) 1411-1413
7. Guo B.C., Wei S., Purnell J., Buzza S., and Castleman A.W. Science 256 (1992) 515-516
8. Clemmer D.E., Hunter J.M., Shelomov K.B., and Jarrold M.F. Nature 372 (1994) 248-250
9. Gutsev G.L., Andrews L., and Bauschlicher Jr. C.W. Theor. Chem. Acc. 109 (2003) 298-308
10. Kalemos A., Mavridis A., and Harrison J.F. J. Phys. Chem. A 105 (2001) 755-786
11. Tomonari M., and Tanaka K. Mol. Phys. 101 (2003) 111-116
12. Kalemos A., Dunning T.H., and Mavridis A. J. Chem. Phys. 123 (2005) 14301-14309
13. Kerkines I.S.K., and Mavridis A. Mol. Phys. 102 (2004) 2451-2466
14. Borin A.C., Gobbo J.P., and Ross B.O. Chem. Phys. Lett. 418 (2006) 311-316
15. Tsouloucha A., Kerkines I.S.K., and Mavridis A. J. Phys. Chem. A 107 (2003) 6062-6072
16. Roszak S., and Balasubramanian K. J. Chem. Phys. A 101 (1997) 2666-2669
17. Jackson P., Gadd G.E., Mackey D.W., van der Wall H., and Willett G.D. J. Phys. Chem. A 102 (1998) 8941-8945
18. Hendrickx M., and Clima S. Chem Phys. Lett. 388 (2004) 284-289
19. Majumdar D., Roszak S., and Balasubramanian K. J. Chem. Phys. 118 (2003) 130-141
20. Arbuznikov A.V., Hendrickx M., and Vanquickenborne L.G. Chem. Phys. Lett. 310 (1999) 515-522
21. Hendrickx M., and Clima S. Chem. Phys. Lett. 388 (2004) 290-296
22. Arbuznikov A.V., and Hendrickx M. Chem. Phys. Lett. 320 (2000) 575-581
23. Rayón V.M., Redondo P., Barrientos C., and Largo A. Chem. Eur. J. 12 (2006) 6963-6975
24. Zhai H.J., Wang L.S., Jena P., Gutsev G.L., and Bauschlicher Jr. C.W. J. Chem. Phys. 120 (2004) 8996-9008
25. Sumathi R., and Hendrickx M. J. Phys. Chem. A 102 (1998) 4883-4889
26. Largo L., Cimas A., Redondo P., Rayón V.M., and Barrientos C. Chem. Phys. 330 (2006) 431-440
27. Noya E.G., Longo R.C., and Gallego L.J. J. Chem. Phys. 119 (2003) 11130-11134
28. Froudakis G.E., Muhlhauser M., Andriotis A.N., and Menon M. Phys. Rev. B 64 (2001) 241401-1-241401-4
29. Grey G., Alemany M.M.G., Dieguez O., and Gallego L.G. Phys. Rev. B 62 (2000) 12640-12643
30. Longo R.C., Alemany M.M.G., Fernandez B., and Gallego L.J. Phys. Rev. B 68 (2003) 167401-1-167401-3
31. Redondo P., Barrientos C., and Largo A. J. Phys. Chem. A 109 (2005) 8594-8603
32. Redondo P., Barrientos C., and Largo A. J. Phys. Chem. A 110 (2006) 4057-4064
33. Li X., and Wang L.-S. J. Chem. Phys. 111 (1999) 8389-8395
34. Wang L.S., and Li X. J. Chem. Phys. 112 (2000) 3602-3608
35. Redondo P., Barrientos C., and Largo A. J. Chem. Theor. Comput. 2 (2006) 885-893
36. Redondo P., Barrientos C., and Largo A. J. Mol. Struct. (Theochem) 769 (2006) 225-236
37. Becke A.D. J. Chem. Phys. 84 (1986) 4524-4529
38. Becke A.D. J. Chem. Phys. 88 (1988) 2547-2553
39. Lee C., Yang W., and Parr R.G. Phys. Rev. B 37 (1988) 785-789
40. Becke A.D. J. Chem. Phys. 88 (1988) 1053-1062
41. Becke A.D. J. Chem. Phys. 98 (1993) 5648-5652
42. Kohn W., and Sham L.J. Phys. Rev. A 140 (1965) 1133-1139
43. Wachters A.J.H. J. Chem. Phys. 52 (1970) 1033-1036
44. Hay P.J. J. Chem. Phys. 66 (1977) 4377-4384
45. Ragavachari K., and Trucks G.W. J. Chem. Phys. 91 (1989) 1062-1065
46. Krishnan R., Binkley J.S., Seeger R., and Pople J.A. J. Chem. Phys. 72 (1980) 650-654
47. Hay P.J., and Wadt W.R. J. Chem. Phys. 82 (1985) 270-283
48. Wadt W.R., and Hay P.J. J. Chem. Phys. 82 (1985) 284-298
49. Hay P.J., and Wadt W.R. J. Chem. Phys. 82 (1985) 299-310
50. Pascoli G., and Lavendy H. Int. J. Mass Spectrom. 181 (1998) 11-25
51. Maclagan R.G.A.R., and Scuseria G.E. Chem. Phys. Lett. 262 (1996) 87-90
52. Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Zakrzewski V.G., Montgomery Jr. J.A., Stratmann R.E., Burant J.C., Dapprich S., Millan J.M., Daniels A.D., Kudin K.N., Strain M.C., Farkas O., Tomasi J., Barone V., Cossi M., Cammi R., Mennucci B., Pomelly C., Adamo C., Clifford S., Ochterski J., Petersson G.A., Ayala P.Y., Cui Q., Morokuma K., Malick D.K., Rabuck A.D., Raghavachari K., Foresman J.B., Cioslowski J., Ortiz J.V., Baboul A.G., Stefanov B.B., Liu G., Liashenko A., Piskorz P., Komaromi I., Gomperts R., Martin R.L., Fox D.J., Keith T., Al-Laham M.A., Peng C.Y., Nanayakkara A., Gonzalez C., Challacombe M., Gill P.M.W., Johnson B., Chen W., Wong M.W., Andres J.L., Gonzalez C., Head-Gordon M., Replogle E.S., and Pople J.A. Gaussian 98 (1998), Gaussian Inc., Pittsburgh, PA
53. Raghavachari K., and Binkley J.S. J. Chem. Phys. 87 (1987) 2191-2197
54. Pascoli G., and Lavendy H. J. Phys. Chem. A 103 (1999) 3518-3524