Energetics and bonding in small lithiated carbon clusters

Journal of Molecular Structure: THEOCHEM

Volumn 807, Issue 1-3, 2007, Pages 163-172

  Patrick, Anthony D ^a   Skene, Andrew ^a   Blaisten Barojas, Estela ^a  

^a GEORGE MASON UNIVERSITY   (United States)

Author keywords

Aerosols; Carbon metallization; Density functional theory; Molecular clusters; Vibrational analysis

Indexed keywords

EID: 33847171501     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2006.12.033     Document Type: Article

References (24)

1. Budzelaar P.H.M., Schleyer P.v.R., and Krogh-Jespersen K. Angew. Chem. Int. Ed. Engl. 23 (1984) 825
2. Koch W., Frenking G., Gauss J., Cremer D., Sawaryn A., and Schleyer P.v.R. J. Am. Chem. Soc. 108 (1986) 5732
3. Collins J.B., Dill J.D., Jemmis E.D., Apeloig Y., Schleyer P.v.R., Seeger R., and Pople J.A. J. Am. Chem. Soc. 98 (1976) 5419
4. Laidig W.D., and Schaefer H.F. J. Am. Chem. Soc. 100 (1978) 5972
5. Jemmis E.D., Poppinger D., Schleyer P.v.R., and Pople J.A. J. Am. Chem. Soc. 99 (1977) 5796
6. Apeloig Y., Schleyer P.v.R., Binkley J.S., Pople J.A., and Jorgensen W.A. Tetrahedron Lett. 17 (1976) 3923
7. Rauscher G., Clark T., Poppinger D., and R Schleyer P.v. Angew. Chem. 90 (1978) 306
8. Jemmis E.D., Chandrasekhar J., and Schleyer P.v.R. J. Am. Chem. Soc. 101 (1979) 2848
9. Kos A., Poppinger D., Schleyer P.v.R., and Thiel W. Tetrahedron Lett. (1980) 2151
10. Hankinson D.J., and Almlöf J. J. Mol. Struct. (Theochem.) 338 (1996) 245
11. Kohn W., and Sham L.J. Phys. Rev. A 140 (1965) 1133
12. Becke A.D. J. Chem. Phys. 98 (1993) 5648
13. M.J. Frisch et al., Gaussian Inc., Pittsburg, PA, 1998.
14. Perdue J.P., Chevary J.A., Vosko S.H., Jackson K.A., Pederson M.R., Singh D.J., and Fiolhais C. Phys. Rev. B 46 (1992) 6671
15. Perdue J.P., Burke K., and Wang Y. Phys. Rev. B 54 (1996) 16533
16. van Duijneveldt F., van Duijneveldt-van de Rijdt J., and van Lenthe J. Chem. Rev. 94 (1994) 1873
17. Ricca A., and Bauschlicher C.W. Chem. Phys. Lett. 244 (1995) 32
18. Machado F.B.C., Bravo R., and Roberto-Neto O. J. Mol. Struct. (Theochem.) 464 (1999) 7
19. Lievens P., Thoen P., Bouchaert S., Bouwen W., Vanhoutte F., Weidele H., Silverans R.E., Navarro-Vázquez A., and Schleyer P.v.R. Eur. Phys. Lett. J. D 9 (1999) 289
20. Jug K., Epiotis N., and Buss S. J. Am. Chem. Soc. 108 (1986) 3640
21. Schleyer P.v.R. J. Phys. Chem. 94 (1990) 5560
22. Ruschewitz U., and Pottgen R. Z. Anorg. Allg. Chem. 625 (1999) 1599
23. Dorigo A., Eikema Hommes N.J.R.v., Krogh-Jespersen K., and Schleyer P.v.R. Agnew. Chem. Int. Ed. Engl. 31 (1992) 1602
24. Schleyer P.v.R. Pure Appl. Chem. 56 (1984) 151