Raman optical activity spectra: Basis set and electron correlation effects

Molecular Physics

Volumn 101, Issue 13, 2003, Pages 2073-2081

  Pecull, M ^a,b   Rizzo, A ^b  

^a UNIVERSITY OF WARSAW   (Poland)

^b AREA DELLA RICERCA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONS; MOLECULAR VIBRATIONS; MOLECULES; NUMERICAL METHODS; RAMAN SCATTERING;

ELECTRON CORRELATION EFFECTS; RAMAN OPTICAL ACTIVITY;

MOLECULAR PHYSICS;

EID: 1542317558     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/0026897031000109365     Document Type: Article

References (30)

1. Barron, L. D., 1982. Molecular Light Scattering and Optical Activity Cambridge:Cambridge University Press.
2. Bell, A. F., Hecht, L., and Barron, L. D., 1998. J. Am. chem. Soc., 120:5820
3. Barron, L. D., Hecht, L., and Bell, A. F., 1996. Appl. Spectrosc., 50:619
4. Polavarapu, P. L., 1990. J. phys. Chem., 94:8106
5. Helgaker, T., Ruud, K., Bak, K. L., Jørgensen, P., and Olsen, J., 1994. Faraday Discuss., 99:165
6. Ruud, K., Helgaker, T., and Bour, P., 2002. J. phys. Chem. A, 106:7448
7. Pecul, M., Rizzo, A., and Leszczynski, J., 2002. J. phys. Chem. A, 106:11008
8. Barron, L. D., Gargaro, A. R., Hecht, L., and Polavarapu, P. L., 1991. Spectrochim. Acta, 47a:1001
9. Yu, G.-S., Freedman, T. B., Nafie, L. A., Deng, Z., and Polavarapu, P. L., 1995. J. phys. Chem., 99:835
10. Jalkanen, K. J., Nieminen, R. M., Frimand, K., Bohr, J., Bohr, H., Wade, R. C., Tajkhorshid, E., and Suhai, S., 2001. J. comput. Chem., 265:125
11. Bouř, P. 2001. J. comput. Chem., 22:426
12. Bouř, P., Kapitaán, J., and Baumruk, V., 2001. J. phys. Chem. A, 105:6362
13. Bouř, P., Sychrovský, V., Maloñ, P., Hanzlíkovà, J., Baumruk, V., Pospíᵴek, J., and Budẽᵴínský, M., 2002. J. Phys. Chem. A, 106:7321
14. Coriani, S., Pecul, M., Rizzo, A., Jørgensen, P., and Jaszuński, M., 2002. J. chem. Phys., 117:6417
15. Pecul, M., and Rizzo, A., 2002. J. chem. Phys., 116:1259
16. Pecul, M., and Coriani, S., 2002. Chem. Phys. Lett., 355:327
17. Lüthy, J., Réty, J., and Arigoni, D., 1969. Nature (London), 221:221
18. Beil, A., Luckhaus, D., Marquardt, R., and Quack, M., 1994. Faraday Discuss., 99:49
19. Barron, L. D., and Buckingham, A. D., 1971. Mol. Phys., 20:1111
20. Placzek, G., 1934. Handbuch der Radiologie Edited by:Marx, E., Vol. 6, 205Leipzig:Akademische Verlagsgesellschaft.
21. London, F., 1937. J. Phys. Radium, 8:397
22. Ditchfield, R. D., 1972. J. chem. Phys., 56:5688
23. Woliński, K., Hinton, J. F., and Pulay, P., 1990. J. Am. chem. Soc., 112:8251
24. Helgaker, T. U., and Jørgensen, P., 1991. J. chem. Phys., 95:2595
25. Ruud, K., Helgaker, T., Bak, K. L., Jensen, H. J. A., and Jørgensen, P., 1993. J. chem. Phys., 99:3847
26. Helgaker, T., Jensen, H. J. A., Jørgensen, P., Olsen, J., Ruud, K., Ågren, H., Auer, A. A., Bak, K. L., Bakken, V., Christiansen, O., Coriani, S., Dahle, P., Dalskov, E. K., Enevoldsen, T., Fernandez, B., Hättig, C., Hald, K., Halkier, A., Heiberg, H., Hettema, H., Jonsson, D., Kirpekar, S., Kobayashi, R., Koch, H., Mikkelsen, K. V., Norman, P., Packer, M. J., Pedersen, T. B., Ruden, T. A., Sanchez, A., Saue, T., Sauer, S. P. A., Schimmelpfenning, B., Sylvester-Hvid, K. O., Taylor, P. R., and Vahtras, O., 2001. DALTON, an ab initio electronic structure program, Release 1.2
27. Dunning, T. H., 1989. J. chem. Phys., 90:1007
28. Kendall, R. A., Dunning, T. H., and Harrison, R. J., 1992. J. chem. Phys., 96:6796
29. Woon, D. E., and Dunning, T. H., 1993. J. chem. Phys., 98:1358
30. Woon, D. E., and Dunning, T. H., 1994. J. chem. Phys., 100:2975