Coupled-cluster calculations of optical rotation

Chemical Physics Letters

Volumn 373, Issue 5-6, 2003, Pages 606-614

  Ruud, Kenneth ^a   Stephens, Philip J ^b   Devlin, Frank J ^b   Taylor, Peter R ^c   Cheeseman, James R ^d   Frisch, Michael J ^d  

^a UNIVERSITY OF TROMSØ   (Norway)

^b UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

^c UNIVERSITY OF WARWICK   (United Kingdom)

^d GAUSSIAN INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0037508556     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(03)00667-5     Document Type: Article

References (34)

1. Polavarapu P.L. Mol. Phys. 91 1997 551.
2. Polavarapu P.L. Chakraborty D.K. J. Am. Chem. Soc. 120 1998 6160.
3. Polavarapu P.L. Zhao C. Chem. Phys. Lett. 296 1998 105.
4. Kondru R.K. Wipf P. Beratan D.N. J. Am. Chem. Soc. 120 1998 2204.
5. Kondru R.K. Wipf P. Beratan D.N. Science 282 1998 2247.
6. Kondru R.K. Wipf P. Beratan D.N. J. Phys. Chem. A 103 1999 6603.
7. Cheeseman J.R. Frisch M.J. Devlin F.J. Stephens P.J. J. Phys. Chem. A 104 2000 1039.
8. Stephens P.J. Devlin F.J. Cheeseman J.R. Frisch M.J. Mennucci B. Tomasi J. Tetrahedron: Asymmetry 11 2000 2443.
9. Stephens P.J. Devlin F.J. Cheeseman J.R. Frisch M.J. J. Phys. Chem. A 105 2001 5356.
10. Stephens P.J. Devlin F.J. Cheeseman J.R. Frisch M.J. Chirality 14 2001 1.
11. Mennucci B. Tomasi J. Cammi R. Cheeseman J.R. Frisch M.J. Devlin F.J. Gabriel S. Stephens P.J. J. Phys. Chem. A 106 2002 6102.
12. Stephens P.J. Devlin F.J. Cheeseman J.R. Frisch M.J. Rosini C. Org. Lett. 4 2002 4595.
13. Polavarapu P.L. Chakraborty D.K. Ruud K. Chem. Phys. Lett. 319 2000 595.
14. Ruud K. Taylor P.R. Åstrand P.-O. Chem. Phys. Lett. 337 2001 215.
15. Ruud K. Helgaker T. Chem. Phys. Lett. 352 2002 533.
16. Grimme S. Chem. Phys. Lett. 339 2001 380.
17. Grimme S. Furche F. Ahlrichs R. Chem. Phys. Lett. 361 2002 321.
18. Autschbach J. Petchkovskii S. Ziegler T. van Gisbergen S.J.A. Baerends E.J. J. Chem. Phys. 117 2002 581.
19. Christiansen O. Koch H. Jørgensen P. Helgaker T. de Merás A.S. J. Chem. Phys. 105 1996 6921.
20. Christiansen O. Halkier A. Koch H. Jørgensen P. Helgaker T. J. Chem. Phys. 108 1998 2801.
21. Rosenfeld L. Z. Phys. 52 1928 161.
22. Condon E.U. Rev. Mod. Phys. 9 1937 432.
23. Eyring H. Walter J. Kimball G.E. Quantum Chemistry 1944 Wiley New York.
24. Helgaker T. et al., Dalton, an ab initio electronic structure program, Release 1.2. See http://www.kjemi.uio.no/software/dalton/dalton.html, 2001
25. Pedersen T.B. Koch H. Hättig C. J. Chem. Phys. 110 1999 8318.
26. London F. J. Phys. Radium 8 1937 397.
27. Dunning T.H.Jr. J. Chem. Phys. 90 1989 1007.
28. Woon D.E. Dunning T.H.Jr. J. Chem. Phys. 100 1994 2975.
29. Gaussian, Development version, Gaussian Inc., Pittsburgh
30. Koch H. Christiansen O. Jørgensen P. Olsen J. Chem. Phys. Lett. 244 1995 75.
31. Lightner D.A. Gawronski J.K. Bouman T.D. J. Am. Chem. Soc. 102 1980 5749.
32. Lightner D.A. Beavers W.A. J. Am. Chem. Soc. 93 1971 2677.
33. Hansen A.E. Bak K.L. Enantiomer 4 1999 455.
34. Sandman D.J. Mislow K. J. Org. Chem. 33 1968 2924.