A quantum chemical analysis of the intermolecular interactions between the molecules of the typically aprotic, dipolar acetone

Chemical Physics Letters

Volumn 275, Issue 1-2, 1997, Pages 35-39

  Turi, László ^a  

^a EÖTVÖS LORÁND UNIVERSITY   (Hungary)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0031583458     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(97)00736-7     Document Type: Article

References (23)

1. [1] R. Taylor, O. Kennard, J. Am. Chem. Soc. 104 (1982) 5063.
2. [2] G.R. Desiraju, Acc. Chem. Res. 24 (1991) 290.
3. [3] S.W. Han, K. Kim, J. Phys. Chem. 100 (1996) 17124.
4. [4] L. Turi, J.J. Dannenberg, J. Phys. Chem. 97 (1993) 7899.
5. [5] L. Turi, J.J. Dannenberg, J. Phys. Chem. 100 (1996) 9638.
6. [6] P. Jedlovszky, L. Turi, J. Phys. Chem. B 101 (1997) in press.
7. [7] D.J. Frurip, L.A. Curtiss, M. Blander, J. Phys. Chem. 82 (1978) 2555.
8. [8] B. Ancian, B. Tiffon, J.-E. Dubois, Chem. Phys. 74 (1983) 171.
9. [9] A. Barszczewicz, M. Jaszunski, Chem. Phys. Lett. 203 (1993) 404.
10. [10] L.N. Anderson, A.P. Kudchadker, P. Eubank, J. Chem. Eng. Data 13 (1968) 321.
11. [11] P. Jedlovszky, G. Pálinkás, Mol. Phys. 84 (1995) 217.
12. [12] M.P. Allen, D.J. Tildesley, Computer Simulation of Liquids, Clarendon Press, Oxford, 1987.
13. [13] P. Jedlovszky, L. Turi, J. Phys. Chem. A 101 (1997) 2662.
14. [14] A.D. Becke, J. Chem. Phys. 98 (1993) 5648.
15. [15] S.F. Boys, F. Bernardi, Mol. Phys. 19 (1970) 553.
16. [16] L. Turi, J.J. Dannenberg, J. Phys. Chem. 97 (1993) 2488.
17. [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, Gaussian94, Revision B.2. Gaussian, Pittsburgh, PA, 1995.
18. [18] L. Turi, J. Phys. Chem. 100 (1996) 11285.
19. [19] L. Turi, J.J. Dannenberg, J. Phys. Chem. 97 (1993) 11297.
20. [20] A. Bondi, J. Phys. Chem. 68 (1964) 441.
21. [21] G.C. Pimentel, A.L. McClellan, The Hydrogen Bond, Freeman, San Francisco, CA, 1960.
22. [22] L.A. Curtiss, D.J. Frurip, M. Blander, J. Chem. Phys. 71 (1979) 2703.
23. [23] W. Kohn, A.D. Becke, R.G. Parr, J. Phys. Chem. 100 (1996) 12974.