Chloromethane and dichloromethane decompositions inside nanotubes as models of reactions in confined space

Theoretical Chemistry Accounts

Volumn 124, Issue 1-2, 2009, Pages 95-103

  Trzaskowski, Bartosz ^a,b   Adamowicz, Ludwik ^a  

^a University of Arizona   (United States)

^b CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

Chemical reactions; Entropy; Nanotubes; Transition state

Indexed keywords

EID: 70449523456     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-009-0586-0     Document Type: Article

References (27)

1. Britz DA, Khlobystov AN, Porfyrakis K, Ardavan A, Briggs GAD (2005) Chem Commun 37.
2. Pichler T, Kuzmany H, Kataura H, Achiba Y (2001) Phys Rev Lett 87:267401.
3. Pan X, Bao X (2008) Chem Commun 6271.
4. Halls MD, Schlegel HB (2002) J Phys Chem B 106:1921.
5. Lu T, Goldfield EM, Gray SK (2008) J Phys Chem C 112:2654.
6. Lu T, Goldfield EM, Gray SK (2008) J Phys Chem C 112:15260.
7. Yuan S, Wang X, Li P, Li F, Yuan S (2008) J Appl Phys 104:054310.
8. Barajas-Barraza RE, Ramirez-Ruiz JA, Guirado-Lopez RA (2008) J Comput Chem Nanosci 5:2255.
9. Bianco A, Kostarelos K, Prato M (2005) Curr Opin Chem Biol 9:674.
10. Tyndall GS, Wallington TJ, Hurley MD, Schneider WF (1993) J Phys Chem 97:1576.
11. Wallington TJ, Schneider WF, Barnes I, Becker KH, Sehested J, Nielsen OJ (2000) Chem Phys 322:97.
12. Phillips DL, Zhao C, Wang D (2005) J Phys Chem A 109:9653.
13. Scheytt H, Esrom H, Prager L, Mehnert R, von Sonntag C (1993) Non-thermal plasma techniques for pollution control, Part B. In: Penetrant BM, Schultheis SE (eds) NATO ASI series G 34 B, electron beam and electrical discharge processing. Springer, Heidelberg.
14. von Sonntag C, Mark G, Mertens R, Schuchmann MN, Schuchmann HP (1993) J Water Supply Res Technol Aqua 42:201.
15. Mertens R, von Sonntag C (1994) Angew Chem Int Ed Engl 33:1259.
16. Mertens R, von Sonntag C (1994) J Chem Soc Perkins Trans 2:2181.
17. von Sonntag C, Schuchmann HP (1994) Methods Enzymol 233:3.
18. Dowideit P, Mertens R, von Sonntag C (1996) J Am Chem Soc 118:11288.
19. Møller C, Plesset MS (1934) Phys Rev 46:618.
20. Maseras F, Morokuma K (1995) J Comp Chem 16:1170.
21. Dapprich S, Komáromi I, Byun KS, Morokuma K, Frisch MJ (1999) J Mol Struct THEOCHEM 461-462, 1.
22. Rappé AK, Casewit CJ, Colwell KS, Goddard III WA, Skiff WM (1992) J Am Chem Soc 114:10024.
23. Basiuk VA (2003) J Phys Chem B 107:8890.
24. Basiuk VA (2004) J Nanosci Nanotech 4:1095.
25. Gaussian 03 Revision C.02 Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Montgomery JA Jr, Vreven T, Kudin KN, Burant JC, Millam JM, Iyengar SS, Tomasi J, Barone V, Mennucci B, Cossi M, Scalmani G, Rega N, Petersson GA, 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 JE, Hratchian HP, Cross JB, Bakken V, Adamo C, Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Ayala PY, Morokuma K, Voth GA, Salvador P, Dannenberg JJ, Zakrzewski VG, Dapprich S, Daniels AD, Strain MC, Farkas O, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Ortiz JV, Cui Q, Baboul AG, Clifford S, Cioslowski J, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Gonzalez C, Pople JA, Gaussian Inc Wallingford CT (2004).
26. Nakatsuji H, Hayakawa T, Yonezawa T (1981) J Am Chem Soc 103:7426.
27. Witek H, Trzaskowski B, Małolepsza E, Morokuma K, Adamowicz L (2007) Chem Phys Lett 446:87.