Studies of the dynamics around the O-O bond: Orthogonal local modes of hydrogen peroxide

Chemical Physics Letters

Volumn 432, Issue 4-6, 2006, Pages 383-390

  Maciel, Glauciete S ^a   Bitencourt, Ana Carla P ^a   Ragni, Mirco ^a   Aquilanti, Vincenzo ^a  

^a UNIVERSITY OF PERUGIA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; ISOMERIZATION; ISOMERS; MOLECULAR DYNAMICS; QUANTUM THEORY; STRETCHING;

ENERGETIC PROPERTIES; ISOTOPOMERS; ORTHOGONAL LOCAL MODES; TORSION MODES;

HYDROGEN PEROXIDE;

EID: 35248842160     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2006.10.073     Document Type: Article

References (35)

1. Lee M., Heikes B.G., and O'Sullivan D.W. Atmos. Environ. 34 (2004) 3475
2. Vaida V. Int. J. Photoenergy 07 (2005) 61
3. Bychov S.S., Grishanic B.A., Zadkov V.N., and Takahashi H. J. Raman Spectrosc. 33 (2002) 962
4. Ruud K., and Helgaker T. Chem. Phys. Lett. 352 (2002) 533
5. Elango M., Parthasarathi R., Subramanian V., Ramachandran C.N., and Sathyamurthy N. J. Phys. Chem. A 110 (2006) 6294
6. V. Aquilanti, G.S. Maciel, Orig. Life Evol. Biosph., in press, doi:10.1007/s11084-006-9048-z.
7. Aquilanti V., and Cavalli S. J. Chem. Phys. 85 (1986) 1355
8. Lin S.Y., and Guo H. J. Chem. Phys. 119 (2003) 5867
9. Carter S., Colwell S.M., and Handy N.C. Mol. Phys. 96 (1999) 447 and references cited therein
10. Bowman J.M., Carter S., and Huang X. Int. Rev. Phys. Chem. 22 (2003) 533
11. Aquilanti V., Bonnet L., and Cavalli S. Mol. Phys. 89 (1996) 1
12. Aquilanti V., and Cavalli S. J. Chem. Soc. Faraday Trans. 93 (1997) 801
13. Littlejohn R.G., Mitchell K.A., and Aquilanti V. Phys. Chem. Chem. Phys. 1 (1999) 1259
14. Aquilanti V., Beddoni A., Cavalli S., Lombardi A., and Littlejohn R. Mol. Phys. 98 (2000) 1763
15. Aquilanti V., Beddoni A., Lombardi A., and Littlejohn R. Int. J. Quant. Chem. 89 (2002) 277
16. Aquilanti V., Lombardi A., and Littlejohn R.G. Theor. Chem. Accounts 111 (2004) 400
17. Kozin I.N., Law M.M., Tennyson J., and Hutson J.M. Comp. Phys. Commun. 163 (2004) 117
18. Redington R.L., Olson W.B., and Cross P.C. J. Chem. Phys. 365 (1962) 1311
19. Khachkuruzov G.A., and Przhevalskii I.N. Opt. Spectrosc. 36 (1974) 172
20. Koput J. J. Mol. Spectrosc. 115 (1986) 438
21. Hunt R.H., Leacock R.A., Peters W., and Hecht K.T. J. Chem. Phys. 42 (1965) 1931
22. Koput J. Chem. Phys. Lett. 236 (1995) 516
23. Koput J., Carter S., and Handy N.C. J. Phys. Chem. A 102 (1998) 6325B
24. Kuhn B., Rizzo T., Luckhaus D., Quack M., and Shum M.A. J. Chem. Phys. 111 (1999) 2565
25. Lee J.S. Chem. Phys. Lett. 359 (2002) 440
26. Fehrensen B., Luckhaus D., and Quack M. Chem. Phys. Lett. 300 (1999) 312
27. Cohen E.A., and Pickett H.P. J. Mol. Spectrosc. 87 (1981) 582
28. Lide D.R. Handbook of Chemistry and Physics. 80th edn. (2000-2002), CRC Press
29. Frisch M.J., et al. gaussian 03 (2003), Gaussian, Inc., Pittsburgh, PA
30. Maciel G.S., and Garcia E. Chem. Phys. Lett. 409 (2005) 9
31. Joyeux M. J. Chem. Phys. 122 (2005) 074303
32. Watts J.D., and Francisco J.S. J. Chem. Phys. 125 (2006) 104301
33. Maroulis G. J. Chem. Phys. 96 (1992) 6048
34. Koput J. Chem. Phys. Lett. 257 (1996) 36
35. Koput J., Carter S., and Handy N.C. J. Chem. Phys. 115 (2001) 8345