Calculation of the tunneling splitting in the zero-point level and CO-stretch fundamental of the formic acid dimer

Chemical Physics Letters

Volumn 395, Issue 4-6, 2004, Pages 339-345

  Smedarchina, Zorka ^a,b   Fernandez Ramos, Antonio ^b   Siebrand, Willem ^a  

^a NATIONAL RESEARCH COUNCIL CANADA   (Canada)

^b UNIVERSITY OF SANTIAGO DE COMPOSTELA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

DIMER; FORMIC ACID; PROTON;

ARTICLE; CALCULATION; MATHEMATICAL ANALYSIS; MATHEMATICAL COMPUTING; TECHNIQUE; VIBRATION;

EID: 4444256830     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2004.07.080     Document Type: Article

References (21)

1. F. Madeja, and M. Havenith J. Chem. Phys. 117 2002 7162
2. Y.-T. Chang, Y. Yamaguchi, W.H. Miller, and H.F. Schaeffer III J. Am. Chem. Soc. 109 1987 7247
3. N. Shida, P.F. Barbara, and J. Almlöf J. Chem. Phys. 94 1991 3633
4. H. Ushiyama, and K. Takatsuka J. Chem. Phys. 115 2001 5903
5. M.V. Vener, O. Köhn, and J.M. Bowman Chem. Phys. Lett. 349 2001 562
6. T. Loerting, and K.R. Liedl J. Am. Chem. Soc. 120 1998 12595
7. C.S. Tautermann, A.F. Voegele, and K.R. Liedl J. Chem. Phys. 120 2004 631
8. H. Sekiya, Y. Nagashima, and Y. Nishimura J. Chem. Phys. 92 1990 5761
9. Z. Smedarchina, W. Siebrand, and M.Z. Zgierski J. Chem. Phys. 104 1996 1203
10. D.L. Howard, T.W. Robinson, A.E. Fraser, and H.G. Kjærgaard Phys. Chem. Chem. Phys. 6 2004 719
11. Z. Smedarchina, W. Siebrand, and M.Z. Zgierski J. Chem. Phys. 103 1995 5326
12. A. Fernández-Ramos, Z. Smedarchina, M.Z. Zgierski, and W. Siebrand J. Chem. Phys. 109 1998 1004
13. Z. Smedarchina, W. Siebrand, A. Fernández-Ramos, and E. Martí-nez-Núñez Chem. Phys. Lett. 386 2004 396
14. W. Siebrand, Z. Smedarchina, M.Z. Zgierski, and A. Fernández-Ramos Int. Rev. Phys. Chem. 18 1999 5
15. Z. Smedarchina, A. Fernández-Ramos, and W. Siebrand J. Comp. Chem. 22 2001 787
16. B.J. Lynch, and D.G. Truhlar J. Phys. Chem. A 107 2003 3898 and references therein
17. J.P. Sethna Phys. Rev. B 24 1981 698
18. J.P. Sethna Phys. Rev. B 25 1982 5050
19. V.A. Benderskii, D.E. Makarov, D.L. Pastur, and P.G. Grinevich Chem. Phys. 161 1992 51
20. J.M. Rodgers, B.J. Lynch, P.L. Fast, Y. Zhao, J. Pu, Y.-Y. Chung, and D.G. Truhlar 2002 University of Minnesota Minneapolis
21. M.J. Frisch Gaussian 98, Rev. A.11 1998 Gaussian Inc. Pittsburgh, PA