On SOCl2 hydrolysis at carbon nanotubes

Chemical Physics

Volumn 330, Issue 1-2, 2006, Pages 224-230

  Breza, Martin ^a  

^a SLOVAK UNIVERSITY OF TECHNOLOGY   (Slovakia)

Author keywords

Carbon nanotubes; DFT calculations; Electronic structure; Geometry optimization; Thionylchloride hydrolysis

Indexed keywords

EID: 33750480530     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2006.08.018     Document Type: Article

References (21)

1. Skakalova V., Dettlaff-Weglikowska U., and Roth S. Diamond Relat. Mater. 13 (2004) 296
2. Dettlaff-Weglikowska U., Skakalova V., Graupner R., Jhang S.H., Kim B.H., Lee H.J., Ley L., Park Y.W., Berber S., Tomanek D., and Roth S. J. Am. Chem. Soc. 127 (2005) 5125
3. Skakalova V., Kaiser A.B., Dettlaff-Weglikowska U., Hrncarikova K., and Roth S. J. Phys. Chem. B 109 (2005) 7174
4. Skakalova V., Dettlaff-Weglikowska U., and Roth S. Synt. Met. 152 (2005) 349
5. Peng H.Q., Alemany L.B., Margrave J.L., and Khabashesku V.N. J. Am. Chem. Soc. 125 (2003) 15174
6. Bandgar B.P., and Bettigeri S.V. Monatsh. Chem. 135 (2004) 1251
7. Krivopalov V.P., and Nikolaenkova E.B. Russ. Chem. Bull. 42 (1993) 1059
8. Johnson T.J., Disselkamp R.S., Su Y.F., Fellows R.J., Alexander M.L., and Driver C.J. J. Phys. Chem. A 107 (2003) 6183
9. Zhang Z., and Ewing G.E. Spectrochim. Acta A 58 (2002) 2105
10. Giannozzi P., Car R., and Scoles G. J. Chem. Phys. 118 (2003) 1003
11. Yang F.H., and Yang R.T. Carbon 41 (2003) 2149
12. Pliego Jr. J.R., Resende S.M., and Humeres E. Chem. Phys. 314 (2005) 127
13. Chen N., and Yang R.T. J. Phys. Chem. A 102 (1998) 6348
14. Xu Y.-J., and Li J.-Q. Chem. Phys. Lett. 400 (2004) 406
15. Xu Y.-J., Zhang Y.-F., and Li J.-Q. Chem. Phys. Lett. 418 (2006) 413
16. Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Montgomery Jr. J.A., Vreven T., Kudin K.N., Burant J.C., Millam J.M., Iyengar S.S., Tomasi J., Barone V., Mennucci B., Cossi M., Scalmani G., Rega N., Petersson G.A., Nakatsuji H., Hada M., Ehara M., Toyota K., Fukuda R., Hasegawa J., Ishida M., Nakajima T., Honda Y., Kitao O., Nakai H., Klene M., Li X., Knox J.E., Hratchian H.P., Cross J.B., Adamo C., Jaramillo J., Gomperts R., Stratmann R.E., Yazyev O., Austin A.J., Cammi R., Pomelli C., Ochterski J.W., Ayala P.Y., Morokuma K., Voth G.A., Salvador P., Dannenberg J.J., Zakrzewski V.G., Dapprich S., Daniels A.D., Strain M.C., Farkas O., Malick D.K., Rabuck A.D., Raghavachari K., Foresman J.B., Ortiz J.V., Cui Q., Baboul A.G., Clifford S., Cioslowski J., Stefanov B.B., Liu G., Liashenko A., Piskorz P., Komaromi I., Martin R.L., Fox D.J., Keith T., Al-Laham M.A., Peng C.Y., Nanayakkara A., Challacombe M., Gill P.M.W., Johnson B., Chen W., Wong M.W., Gonzalez C., and Pople J.A. Gaussian03, Revision C.1 (2003), Gaussian, Inc., Pittsburgh, PA
17. Hariharan P.C., and Pople J.A. Theor. Chim. Acta 28 (1973) 13
18. Francl M.M., Petro W.J., Hehre W.J., Binkley J.S., Gordon M.S., DeFrees D.J., and Pople J.A. J. Chem. Phys. 77 (1982) 3654
19. Chakrapani N., Zhang Y.M., Nayak S.K., Moore J.A., Carroll D.L., Choi Y.Y., and Ajayan P.M. J. Phys. Chem. B 107 (2003) 9308
20. Xu Y.-J., and Li J.-Q. Chem. Phys. Lett. 406 (2005) 249
21. Breza M. J. Mol. Struct. (THEOCHEM) 767 (2006) 163