The ground state basicities of a series of substituted crotonaldehyde

Journal of Molecular Structure: THEOCHEM

Volumn 760, Issue 1-3, 2006, Pages 245-246

  Pandit, S ^a   De, D ^a   De, B R ^a  

^a VIDYASAGAR UNIVERSITY   (India)

Author keywords

B3LYP DFT; Crotonaldehyde; Gas phase; GAUSSIAN

Indexed keywords

EID: 33644816716     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2005.11.030     Document Type: Article

References (16)

1. J.L. Beauchamp Interaction Between Ions and Molecules 1974 Plenum New York p. 413, see also pages 459, 489
2. D.K. Phone, G.I. Mackay, H.I. Schiff, and R.S. Hemsworth J. Chem. Phys. 61 1974 2175
3. J.I. Grauman, and L.K. Blair J. Am. Chem. Soc. 92 1970 5968
4. B.S. Frieiser, and J.L. Beauchamp J. Am. Chem. Soc. 99 1977 3214
5. J.F. Ireland, and P.A.H. Wyatt Adv. Phys. Org. Chem. 12 1976 138
6. M. Ottolenghi Acc. Chem. Res. 6 1973 153
7. F.D. Saeva, and G.R. Olin J. Am. Chem. Soc. 97 1975 5630
8. J.J. Solomon, and H. Ner Meot J. Am. Chem. Soc. 96 1974 3727
9. R. Yamadagni, and P.J. Kebarle J. Am. Chem. Soc. 96 1973 3727
10. S.P. Bhattacharya, S.C. Rakshit, and M. Banerjee J. Mol. Struct. (Theochem) 91 1983 253
11. J.R.L. Dekock, and M.S. Konin J. Mol. Struct. (Theochem) 94 1983 343
12. O.P. Strusz, E. Kapny, C. Kosmntza, M.A. Robb, and I.G. Ciszmadia Theochem. Acta 48 1978 215
13. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery, Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, Gaussian, Inc., Wallingford, CT, 2004.
14. C. Lee, W. Yang, and R.G. Parr Phys. Rev. B37 1988 785
15. A.D. Becke J. Chem. Phys. 98 1993 5648
16. D.K. Dinda, and B.R. De Ind J. Chem. 38B 1999 657 659