Cooperative effects in static polarizabilities and second hyperpolarizabilities of hydrogen-bonded 4-pyridones

Chemical Physics Letters

Volumn 454, Issue 1-3, 2008, Pages 91-96

  Kishi, Ryohei ^a   Umezaki, Shin ya ^a   Fukui, Hitoshi ^a   Minami, Takuya ^a   Kubota, Kazuki ^a   Takahashi, Hideaki ^a   Nakano, Masayoshi ^a  

^a OSAKA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; HYDROGEN BONDS; MONOMERS; POLARIZATION;

PYRIDONES; VIRTUAL EXCITATION;

CRYSTALLINE MATERIALS;

EID: 39749088695     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2008.01.083     Document Type: Article

References (35)

1. Champagne B., and Bishop D.M. Adv. Chem. Phys. 126 (2003) 41
2. Chemla D.S., Oudar J.L., and Jerphagnon J. Phys. Rev. B 12 (1975) 4534
3. Hamada T. J. Phys. Chem. 100 (1996) 19344
4. Lin C., and Wu K. Chem. Phys. Lett. 321 (2000) 83
5. McWilliams P.C.M., and Soos Z.G. J. Chem. Phys. 95 (1991) 2127
6. Xie O., and Dirk C.W. J. Phys. Chem. B 102 (1998) 9378
7. Botek E., and Champagne B. Appl. Phys. B 74 (2002) 627
8. Guillaume M., Botek E., Champagne B., Castet F., and Ducasse L. J. Chem. Phys. 121 (2004) 7390
9. Desiraju G.R. Angew. Chem. Int. Ed. 34 (1995) 2311
10. Russell V.A., and Ward M.D. Chem. Mater. 8 (1996) 1654
11. Prins L.J., Reinhoudt D.N., and Timmerman P. Angew. Chem. Int. Ed. 40 (2001) 2382
12. Steiner T. Angew. Chem. Int. Ed. 41 (2002) 48
13. Maly K.E., Gagnon E., Maris T., and Wuest J.D. J. Am. Chem. Soc. 129 (2006) 4306
14. Wu K., Snijders J.G., and Lin C. J. Phys. Chem. B 106 (2002) 8954
15. Skwara B., Bartkowiak W., and Leszczynski J. Struct. Chem. 15 (2004) 363
16. Avramopoulos A., Jablonski M., Papadopoulos M.G., and Sadlej A.J. Chem. Phys. 328 (2006) 33
17. Li R.J., Li Z.R., Wu D., Hao X.Y., Wang B.Q., and Sun C.C. J. Phys. Chem. A 107 (2003) 6306
18. Wang B.Q., Li Z.R., Wu D., Hao X.Y., Li R.J., and Sun C.C. J. Phys. Chem. A 108 (2004) 2464
19. Skwara B., Bartkowiak W., Zawada A., Gora R.W., and Leszczynski J. Chem. Phys. Lett. 436 (2007) 116
20. Kobko N., and Dannenberg J.J. J. Phys. Chem. A 107 (2003) 6688
21. Kobko N., and Dannenberg J.J. J. Phys. Chem. A 107 (2003) 10389
22. Kennedy R.J., Tsang K.-Y., and Kemp D.S. J. Am. Chem. Soc. 124 (2002) 934
23. Chen Y.-F., and Dannenberg J.J. J. Am. Chem. Soc. 128 (2006) 8100
24. Wieczorek R., and Dannenberg J.J. J. Am. Chem. Soc. 126 (2004) 14198
25. Cohen H.D., and Roothaan C.C.J. J. Chem. Phys. 43 (1965) S34
26. Nakano M., Shigemoto I., Yamada S., and Yamaguchi K. J. Chem. Phys. 103 (1995) 4175
27. Woon D.E., and Dunning Jr. T.H. J. Chem. Phys. 98 (1993) 1358
28. Kendall R.E., Dunning Jr. T.H., and Harrison R.J. J. Chem. Phys. 96 (1992) 6796
29. Woon D.E., and Dunning Jr. T.H. J. Chem. Phys. 100 (1994) 2975
30. Woon D.E., and Dunning Jr. T.H. J. Chem. Phys. 103 (1995) 4572
31. Mierzwicki K., and Latajka Z. Chem. Phys. Lett. 380 (2003) 654
32. M.J. Frisch et al., Gaussian 03, Revision B.04, Gaussian Inc., Pittsburgh, PA, 2003.
33. Kishi R., Umezaki S., Takebe A., Nate M., Takahashi H., and Nakano M. Comput. Lett. 3 (2007) 251
34. Champagne B., et al. J. Chem. Phys. 109 (1998) 10489 Erratum 110 (1999) 11664
35. van Gisbergen S.J.A., Schipper P.R.T., Gritsenko O.V., Baerends E.J., Snijders J.G., Champagne B., and Kirtman B. Phys. Rev. Lett. 83 (1999) 694