A comparative MRD-CI study of the electronic spectrum of linear and cyclic C8+ clusters

Journal of Molecular Spectroscopy

Volumn 228, Issue 1, 2004, Pages 31-37

  Haubrich, Jan ^a   Mühlhäuser, Max ^b,c   Peyerimhoff, Sigrid D ^a  

^a UNIVERSITY OF BONN   (Germany)

^b UNIVERSITY OF APPLIED SCIENCES   (Germany)

^c Management Center   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; FULLERENES; FUNCTIONS; LIGHT ABSORPTION; MATHEMATICAL MODELS; SPECTRUM ANALYSIS; VIBRATION MEASUREMENT;

DIFFUSE INTERSTELLAR BANDS (DIB); ELECTRONIC SPECTRUM; MULTI-REFERENCE CONFIGURATION INTERACTION;

CARBON;

EID: 5444267430     PISSN: 00222852     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jms.2004.05.018     Document Type: Article

References (19)

1. Weltner W. Jr., van Zee R. Chem. Rev. 89:1989;1713.
2. Van Orden A., Saykally R.J. Chem. Rev. 98:1998;2313.
3. Botschwina P. Theor. Chem. Acc. 104:2000;160.
4. Mühlhäuser M., Froudakis G.E., Peyerimhoff S.D. Chem. Phys. Lett. 324:2000;195.
5. Hanrath M., Peyerimhoff S.D., Grein F. Chem. Phys. 249:1999;121.
6. Mühlhäuser M., Froudakis G.E., Peyerimhoff S.D. Chem. Phys. Lett. 336:2001;171.
7. Mühlhäuser M., Froudakis G.E., Peyerimhoff S.D. Phys. Chem. Chem. Phys. 3:2001;3913.
8. Maier J.P. Chem. Soc. Rev. 1997;21.
9. Schnell M., Mühlhäuser M., Froudakis G.E., Peyerimhoff S.D. Chem. Phys. Lett. 340:2001;559.
10. Giuffreda M.G., Deleuze M.S., Francois J.-P. J. Phys. Chem. A. 103:1999;5137.
11. von Helden G., Gotts N.G., Palke W.E., Bowers M.T. Int. J. Mass Spectrom. 138:1994;33.
12. Haubrich J., Mühlhäuser M., Peyerimhoff S.D. Phys. Chem. Chem. Phys. 4:2002;2891.
13. Douglas A.E. Nature. 269:1977;130.
14. Poirier R., Kari R., Csizmadia I. Handbook of Gaussian Basis Sets. 1985;225 Elsevier, Amsterdam. (Nr. 6.59.4).
15. Frisch M.J., Trucks G.W., Schlegel H.B., Gill P.M.W., Johnson B.G., Robb M.A., Cheeseman J.R., Keith T.A., Peterson G.A., Motgomery J.A., Raghavachari K., Al-Laham M.A., Zakrewski V.G., Ortiz J.V., Foresman J.B., Cioslowski J., Stefanov B.B., Nanayakkara A., Challacombe M., Peng C.Y., Ayala P.Y., Chen W., Wong M.W., Andres J.L., Replogle E.S., Matrin R.L., Fox D.J., Binkley J.S., Defrees D.J., Baker J., Stewart J.P., Head-Gordon M., Gonzales C., Pople J.A. Gaussian 98. 1999;Gaussian Inc, Pittsburgh, PA.
16. Hanrath M., Engels B. Chem. Phys. 225:1997;197.
17. Buenker R.J., Peyerimhoff S.D. Theor. Chim. Acta. 35:1974;33 Theor. Chim. Acta. 39:1975;217.
18. Buenker R.J., Peyerimhoff S.D. Theor. Chim. Acta. 35:1974;33 Theor. Chim. Acta. 39:1975;217.
19. Dunning T.H. Jr. J. Chem. Phys. 90:1989;1007.