Nuclear quantum effect on molecular magnetic properties for low barrier hydrogen-bonded systems based on multicomponent density functional theory

Chemistry Letters

Volumn 38, Issue 12, 2009, Pages 1156-1157

  Kita, Yukiumi ^a   Udagawa, Taro ^a,b   Tachikawa, Masanori ^a  

^a YOKOHAMA CITY UNIVERSITY   (Japan)

^b GIFU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 72449180880     PISSN: 03667022     EISSN: 13480715     Source Type: Journal    
DOI: 10.1246/cl.2009.1156     Document Type: Article

References (18)

1. W. Kutzelnigg, U. Fleischer, M. Schindler, NMR Basic Principles and Progress, Springer, Berlin, 1990;
2. T. Helgaker, M. Jaszunski, K. Ruud, Chem. Rev. 1999, 99, 293.
3. C. Ochsenfeld, S. P. Brown, I. Schnell, J. Gauss, H. W. Spiess, J. Am. Chem. Soc. 2001, 123, 2597.
4. R. Ditchfield, J. Chem. Phys. 1972, 56, 5688.
5. T. A. Keith, R. F. W. Bader, Chem. Phys. Lett. 1993, 210, 223.
6. J. Gauss, Chem. Phys. Lett. 1992, 191, 614;
7. J. Gauss, J. Chem. Phys. 1993, 99, 3629.
8. D. Sundholm, J. Gauss, A. Schäfer, J. Chem. Phys. 1996, 105, 11051.
9. J. Vaara, J. Lounila, K. Ruud, T. Helgaker, J. Chem. Phys. 1998, 109, 8388.
10. K. Ruud, P. Åstrand, P. R. Taylor, J. Chem. Phys. 2000, 112, 2668.
11. M. C. Böhm, J. Schulte, R. Ramírez, Chem. Phys. Lett. 2000, 332, 117.
12. T. Udagawa, M. Tachikawa, J. Chem. Phys. 2006, 125, 244105.
13. M. J. Frisch, G. W. Trucks, H. B. Schlegel, et al, Gaussian 03, (Revision B.05), Gaussian Inc., Pittsburgh, PA, 2003.
14. T. Ishimoto, M. Tachikawa, U. Nagashima, Int. J. Quantum Chem. 2006, 106, 1465.
15. K. Suzuki, M. Shiga, M. Tachikawa, J. Chem. Phys. 2008, 129, 144310.
16. A. B. McCoy, X. Huang, S. Carter, J. M. Bowman, J. Chem. Phys. 2005, 123, 064317.
17. H. Ishibashi, A. Hayashi, M. Shiga, M. Tachikawa, ChemPhysChem 2008, 9, 383.
18. Y. Kita, M. Tachikawa, J. Mol. Struct. (THEOCHEM) 2009, 912, 2.