An ab initio study of three (ethane-1,2 diol/water) complexes

Chemical Physics Letters

Volumn 288, Issue 5-6, 1998, Pages 642-646

  Manivet, Philippe ^a   Masella, Michel ^a,b  

^a HÔPITAL LARIBOISIÈRE   (France)

^b LABORATOIRE HÉTÉROÉLÉMENTS ET COORDINATION   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0032577086     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(98)00356-X     Document Type: Article

References (17)

1. Nagy P.I., Dunn W.J., Alagona G., Ghio C. J. Am. Chem. Soc. 113:1991;6719.
2. Nagy P.I., Dunn W.J., Alagona G., Ghio C. J. Am. Chem. Soc. 114:1992;4752.
3. Reiling S., Schlenkrich M., Brickman J. J. Comput. Chem. 17:1996;450.
4. Alagona G., Ghio C. J. Mol. Struct. (Theochem). 254:1992;287.
5. Cramer C.J., Truhlar D.G. J. Am. Chem. Soc. 116:1994;3892.
6. Caminati W., Gorbelli G. J. Mol. Spectrosc. 90:1981;572.
7. Takeuchi H., Tasumi M. Chem. Phys. 77:1983;21.
8. Allinger N.L., Lii J.H. J. Phys. Org. Chem. 7:1994;591.
9. Bastiansen O. Acta Chem. Scand. 3:1949;415.
10. Chidichimo G., Imbardelli D., Longeri M., Saupe A. Mol. Phys. 65:1988;1143.
11. Maleknia S., Friedman B., Abedi N., Schwartz M. Spectrosc. Lett. 13:1980;777.
12. Hooft R.W.W., van Eijck B.P., Kroon J. J. Chem. Phys. 97:1992;3639.
13. Mò O., Yanez M., Elguero J. J. Chem. Phys. 97:1992;6628.
14. M. Masella, J.-P. Flament, J. Chem. Phys. (in press).
15. King B.F., Weinhold F. J. Chem. Phys. 103:1995;333.
16. R.F.W. Bader, Atoms in Molecules. A Quantum Theory, Oxford University, New York, 1990.
17. M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, J. Cioslowski, B.B. Stefanov, A. Nanayakkara, M. Challacombe, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. DeFrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, Gaussian 94, Revision B.2, Gaussian, Inc., Pittsburgh, PA, 1995.