Importance of secondary electrostatic interactions in hydrogen-bonding complexes: An investigation using the self-consistent charge and configuration method for subsystems

Chemical Physics Letters

Volumn 318, Issue 1-3, 2000, Pages 203-209

  Uchimaru, Tadafumi ^a   Korchowiec, Jacek ^a,b   Tsuzuki, Seiji ^a   Matsumura, Kazunari ^a   Kawahara, Shun Ichi ^a  

^a NATL INST OF MAT AND CHEM RES   (Japan)

^b JAGIELLONIAN UNIVERSITY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000717958     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(00)00026-9     Document Type: Article

References (35)

1. S. Scheiner, in: K.B. Lipkowitz, D.B. Boyed (Eds.), Review in Computational Chemistry, Vol. 2, VCH, New York, 1991, p. 165.
2. Scheiner S. Acc. Chem. Res. 27:1994;402.
3. S.G. Zimmerman, T.J. Murray, in: G. Wipff (Ed.), Computational Approaches in Supramolecular Chemistry, Kluwer, Dordrecht, 1994, p. 109.
4. Gordon M.S., Jensen J.H. Acc. Chem. Res. 29:1996;536.
5. Rablen P.R., Lockman J.W., Jorgensen W.L. J. Phys. Chem. A. 102:1998;3782.
6. Etter M.C. Acc. Chem. Res. 23:1990;120.
7. Kirby A.J. Acc. Chem. Res. 30:1997;290.
8. Morokuma K. Acc. Chem. Res. 10:1977;294.
9. Chen W., Gordon M.S. J. Phys. Chem. 100:1996;14316.
10. Rendell A.P.L., Backskay G.B., Hush N.S. Chem. Phys. Lett. 117:1985;400.
11. Stone A.J. Chem. Phys. Lett. 211:1993;101.
12. Jorgensen W.L., Severance D.L. J. Am. Chem. Soc. 113:1991;209.
13. Pranata J., Wierschke S.G., Jorgensen W.L. J. Am. Chem. Soc. 113:1991;2810.
14. Jorgensen W.L., Pranata J. J. Am. Chem. Soc. 112:1990;2008.
15. Korchowiec J., Uchimaru T. J. Phys. Chem. A. 102:1998;6682.
16. Korchowiec J., Uchimaru T. J. Phys. Chem. A. 102:1998;10167.
17. Kim K., Jordan K.D. J. Phys. Chem. 98:1994;10089.
18. Novoa J.J., Sosa C. J. Phys. Chem. 99:1995;15837.
19. Kneisler J.R., Allinger N.L. J. Comput. Chem. 17:1996;757.
20. Gonzalez L., Mo O., Elguero Y.J. J. Mol. Struct. (Theochem). 371:1996;1.
21. Lozynski M., Rusinska-Roszak D., Mack H.-G. J. Phys. Chem. A. 101:1997;1542.
22. Lozynski M., Rusinska-Roszak D., Mack H.-G. J. Phys. Chem. A. 102:1998;2899.
23. Becke A.D. Phys. Rev. A. 38:1988;3098.
24. Lee C., Yang W., Parr R.G. Phys. Rev. B. 37:1988;785.
25. Miehlich B., Savin A., Stoll H., Preuss H. Chem. Phys. Lett. 157:1989;200.
26. 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, Gaussian, Inc., Pittsburgh, PA, 1995.
27. Ransil B.J. J. Chem. Phys. 34:1961;2109.
28. N.R. Kestner, J.E. Combariza, in: K.B. Lipkowitz, D.B. Boyed (Eds.), Review in Computational Chemistry, Vol. 13, Wiley-VCH, New York, 1999, p. 99.
29. Boys S.F., Bernardi F. Mol. Phys. 19:1970;553.
30. Chirlian L.E., Francl M.M. J. Comput. Chem. 8:1987;894.
31. Bondi A. J. Phys. Chem. 68:1964;441.
32. Buckingham D., Fowler P.W. Can. J. Chem. 63:1985;2018.
33. Dykstra C.E. Chem. Rev. 93:1993;2339.
34. Proft F.D., Martin J.M.L., Geerlings P. Chem. Phys. Lett. 250:1996;393.
35. P. Geerlings, F.D. Proft, J.M.L. Martin, in: S. Seminario (Ed.), Theoretical and Computational Chemistry, Vol. 5, Elsevier, Amsterdam, 1996, p. 773.