Ab initio study of coherent anti-Stokes Raman scattering (CARS) of the 1,3,5-trinitro-1,3,5-triazacyclohexane (RDX) explosive

Chemical Physics Letters

Volumn 485, Issue 4-6, 2010, Pages 320-325

  Mohammed, Abdelsalam ^a   Ågren, Hans ^a   Thorvaldsen, Andreas J ^b   Ruud, Kenneth ^b  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^b UNIVERSITY OF TROMSØ   (Norway)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO METHOD; AB INITIO STUDY; COHERENT ANTI-STOKES RAMAN SCATTERING; CROSS SECTION; DIFFERENTIAL CROSS SECTION; EXPERIMENTAL OBSERVATION; GASEOUS SAMPLES; INTENSE BANDS; LOW CONCENTRATIONS; NONRESONANT; RAMAN SIGNAL; STANDOFF DETECTION;

COHERENT SCATTERING; EXCITONS; RAMAN SPECTROSCOPY;

RAMAN SCATTERING;

EID: 74049087943     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2009.12.061     Document Type: Article

References (35)

1. Cheng J., Volkmer A., and Sunney X. J. Opt. Soc. Am. 19 (2002) 1363
2. Evans L.C., and Xie S.X. Annu. Rev. Anal. Chem. 1 (2008) 883
3. Chi Z., and Asher S. J. Phys. Chem. B 102 (1998) 9595
4. Schneider W.F. Non-Linear Raman Spectroscopy and its Chemical Applications (1982), D. Reidel Publishing Company
5. Tang Z.K., Zhai J.P., Tong Y.Y., Hu X.J., Saito R., Feng Y.J., and Sheng P. Phys. Rev. Lett. 101 (2008) 047402
6. Rybachuk M., Hu A., and Bell J.M. Appl. Phys. Lett. 93 (2008)
7. Shim S., Stuart C.M., and Mathies R.A. Chem. Phys. Chem. 9 (2008) 697
8. Husanu M., Baibarac M., Preda N., and Baltog I. J. Optoelectron. Adv. Mater. 10 (2008) 1722
9. Blanco A., Pacheco-Londoño L.C., Peña-Quevedo A.J., and Hernández-Rivera S.P. Proc. SPIE 6217 (2006) 621737
10. Carreira A.L., and Horovitz L.M. Non-Linear Raman Spectroscopy and its Chemical Applications (1982), D. Reidel Publishing Company, England
11. Tolles M.W., Nibler W.J., Mcdonald R.J., and Harvey B.A. J. Appl. Spectrosc. 31 (1977)
12. Ågren H., Jørgensen P., and Coriani S. Phys. Chem. Chem. Phys. 11 (2009) 2293
13. Thorvaldsen A.J., Ruud K., Kristensen K., Jørgensen P., and Coriani S. J. Chem. Phys. 129 (2008) 214108
14. Mukamel S. Principles of Nonlinear Optical Spectroscopy (1995), Oxford University Press, New York
15. Norman P., and Ruud K. Nonlinear Optical Properties of Matter: From Molecules to Condensed Phases. Microscopic Theory of Nonlinear Optics (2006), Kluwer, Dordrecht
16. Thorvaldsen A.J., Ruud K., and Jaszuński M. J. Phys. Chem. 112 (2008) 11942
17. Bishop D.M., and Kirtman B. J. Chem. Phys. 95 (1991) 2646
18. Bishop D.M., and Kirtman B. J. Chem. Phys. 97 (1992) 5255
19. Mohammed A., Ågren H., and Norman P. Phys. Chem. Chem. Phys. 11 (2009) 4539
20. Mohammed A., Minaev B., Ågren H., Mikael L., and Norman P. Chem. Phys. Lett. 481 (2009) 209
21. Becke A.D. J. Chem. Phys. 98 (1993) 5648
22. Lee C.T., Yang W.T., and Parr R.G. Phys. Rev. B 37 (1988) 785
23. Miehlich B., Savin A., Stoll H., and Preuss H. Chem. Phys. Lett. 157 (1989) 200
24. Vosko S.H., Wilk L., and Nusair M. J. Chem. Phys. 58 (1980) 1200
25. M.J. Frisch et al., Gaussian 98, Gaussian Inc., Pittsburgh PA. , 1998.
26. Dalton, a molecular electronic structure program, release 2.0. , 2005.
27. Bak B., Christensen D., Dixon B.W., Hansen-Nygaard L., and Rastrup-Andersen J. J. Chem. Phys. 37 (1962) 2027
28. Gao X., Davies J.P., and Weaver M.J. J. Phys. Chem. 94 (1990) 6858
29. Mrozek M.F., Wasileski S.A., and Weaver M.J. J. Am. Chem. Soc. 123 (2001) 12817
30. Mohammed A., Ågren H., and Norman P. Chem. Phys. Lett. 468 (2009) 119
31. Kee T.W., and Cicerone M.T. Opt. Lett. 29 (2004) 23
32. Vladimirroff T., and Rice M.B. J. Phys. Chem. A 106 (2002) 10437
33. Rice B.M., and Chabalowski F.C. J. Phys. Chem. A 101 (1997) 8720
34. Harris N., and Lammertsma K. J. Am. Chem. Soc. 119 (1997) 6583
35. Portnov A., Rosenwaks S., and Bar I. Appl. Phys. Lett. 93 (2008)