Studies of the Raman spectra of cyclic and acyclic molecules: Combination and prediction spectrum methods

Chemical Physics Letters

Volumn 531, Issue , 2012, Pages 210-215

  Kim, Taejin ^a   Assary, Rajeev S ^a,b   Marshall, Christopher L ^a   Gosztola, David J ^a   Curtiss, Larry A ^a   Stair, Peter C ^a,c  

^a ARGONNE NATIONAL LABORATORY   (United States)

^b Northwestern University   (United States)

^c NORTHWESTERN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALTERNATIVE METHODS; BIOMASS TRANSFORMATION; COMPLEX MOLECULES; DENSITY-FUNCTIONAL METHODS; LEVULINIC ACID; SPECTRAL FEATURE; SPECTRUM METHOD;

ACETIC ACID; ACETONE; ALDEHYDES; FURFURAL; METHANOL; MOLECULES; ORGANIC ACIDS; RAMAN SCATTERING; RAMAN SPECTROSCOPY;

FORECASTING;

EID: 84862832285     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2012.02.002     Document Type: Article

References (31)

1. E. Taarinng, I.S. Nielsen, K. Egeblad, R. Madsen, and C.H. Christensen ChemSusChem 1 2008 75
2. R.S. Assary, P.C. Redfern, J.R. Hammond, J. Greeley, and L.A. Curtiss Chem. Phys. Lett. 497 2010 123
3. R.S. Assary, P.C. Redfern, J.R. Hammond, J. Greeley, and L.A. Curtiss J. Phys. Chem. B 114 2010 9002
4. A. Giuliani, B. Gilbert, C. Kech, and M.J. Hubin-Franskin Chem. Phys. Lett. 379 2003 406
5. T. Jia, P. Li, Z. Shang, L. Zhang, T. He, and Y. Mo J. Mol. Struct. 873 2008 1
6. H. Ashish, and P. Ramasami Mol. Phys. 106 2008 175
7. B. Girisuta, L.P.B.M. Janssen, and H.J. Heeres Green Chem. 8 2006 701
8. R. Huang, W. Qi, R. Su, and Z. He Chem. Commun. 46 2010 1115
9. S. Bertarione, F. Bonino, F. Cesano, S. Jain, M. Zanetti, D. Scarano, and A. Zecchina J. Phys. Chem. B 113 2009 10571
10. G.W. Huber, S. Iborra, and A. Corma Chem. Rev. 106 2006 4044
11. W.D. van de Graaf, J.P. Lange, US Patent 7265,239, B2.
12. J.A. Geboers, S. Van de Vyver, R. Ooms, B. Op de Beeck, P.A. Jacobs, and B.F. Sels Catal. Sci. Technol. 1 2011 714
13. S. Van de Vyver, J. Geboers, P.A. Jacobs, and B.F. Sels ChemCatChem. 3 2011 82
14. M.J. Climent, A. Corma, and S. Iborra Green Chem. 13 2011 520
15. T. Kim, R.S. Assary, L.A. Curtiss, C.L. Marshall, and P.C. Stair J. Raman Spectrosc. 42 2011 2069
16. T. Kim, R.S. Assary, C.L. Marshall, David J. Gosztola, L.A. Curtiss, and P.C. Stair ChemCatChem. 3 2011 1369
17. D. Reichert, A. Montoya, X. Liang, H. Bockhorn, and B.S. Haynes J. Phys. Chem. A 114 2010 12323
18. J.S. Kwiatkowski, J. Leszczynski, and I. Teca J. Mol. Struct. 436-437 1997 451
19. M. Rogojerov, G. Keresztury, and B. Jordanov Spectrochim. Acta A 61 2005 1661
20. F. Billes, H. Bohlig, M. Ackermann, and M. Kudra J. Mol. Struct. Theochem. 672 2004 1
21. A.A. El-Azhary, and H.U. Suter J. Phys. Chem. 100 1996 15056
22. A. Anderson The Raman Effect vol. 1 1971 Marcel Dekker, Inc. New York
23. J.H. Hibben The Raman Effect and Its Chemical Applications 1939 Reinhold New York
24. G. Socrates, Infrared and Raman characteristic group frequencies, Wiley, third edn., New York, 2004.
25. A. Ghysels, V.V. Speybroeck, E. Pauwels, D.V. Neck, B.R. Brooks, and M. Waroquier J. Comput. Chem. 31 2010 994
26. A. Ghysels, V.V. Speybroeck, E. Pauwels, S. Catak, B.R. Brooks, D.V. Neck, and M. Waroquier J. Chem. Theory Comput. 5 2009 1203
27. Gaussian 09, M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J.A. Montgomery, Jr., J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J.J. Dannenberg, S. Dapprich, A.D. Daniels, Ö. Farkas, J.B. Foresman, J.V. Ortiz, J. Cioslowski, D.J. Fox, Gaussian, Inc., Wallingford CT, 2009.
28. J.P. Merrick, D. Moran, and L. Radom J. Phys. Chem. A 111 2007 11683
29. M. Plewicki, and R. Levis J. Opt. Soc. Am. B 25 2008 1714
30. E.E. Fileti, M.A. Castro, and S. Canuto Chem. Phys. Lett. 452 2008 54
31. T. Nakabayashi, K. Kosugi, and N. Nishi J. Phys. Chem. A 103 1999 8595