Anharmonicity of weakly bound Li+-(H2)n (n = 1-3) complexes

Journal of Physical Chemistry A

Volumn 116, Issue 49, 2012, Pages 12148-12152

  De Silva, Nuwan ^a   Njegic, Bosiljka ^a   Gordon, Mark S ^a  

^a IOWA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONICITIES; BASIS SETS; CCSD; COUPLED-CLUSTER METHODS; DOUBLE EXCITATIONS; RED SHIFT; RED-SHIFTED; SELF-CONSISTENT FIELD; STRETCHING FREQUENCY; STRETCHING FREQUENCY SHIFTS;

PHYSICS;

PHYSICAL CHEMISTRY;

EID: 84871007020     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp306647s     Document Type: Article

References (28)

1. Coontz, R.; Hanson, B. Science 2004, 305, 957-957
2. Schlapbach, L.; Zuttel, A. Nature 2001, 414, 353-358
3. Grochala, W.; Edwards, P. P. Chem. Rev. 2004, 104, 1283-1315
4. Orimo, S. I.; Nakamori, Y.; Eliseo, J. R.; Zuttel, A.; Jensen, C. M. Chem. Rev. 2007, 107, 4111-4132
5. Mulder, F. M.; Dingemans, T. J.; Schimmel, H. G.; Ramirez-Cuesta, A. J.; Kearley, G. J. Chem. Phys. 2008, 351, 72-76
6. Vitillo, J. G.; Damin, A.; Zecchina, A.; Ricchiardi, G. J. Chem. Phys. 2005, 122, 114311
7. Deng, W. Q.; Xu, X.; Goddard, W. A. Phys. Rev. Lett. 2004, 92, 166103
8. Emmeluth, C.; Poad, B. L. J.; Thompson, C. D.; Weddle, G. H.; Bieske, E. J. J. Chem. Phys. 2007, 126, 204309
9. Rao, B. K.; Jena, P. Europhys. Lett. 1992, 20, 307-312
10. Davy, R.; Skoumbourdis, E.; Kompanchenko, T. Mol. Phys. 1999, 97, 1263-1271
11. Barbatti, M.; Jalbert, G.; Nascimento, M. A. C. J. Chem. Phys. 2001, 114, 2213-2218
12. De Silva, N.; Njegic, B.; Gordon, M. S. J. Phys. Chem. A 2011, 115, 3272-3278
13. Chaban, G. M.; Jung, J. O.; Gerber, R. B. J. Chem. Phys. 1999, 111, 1823-1829
14. Yagi, K.; Taketsugu, T.; Hirao, K.; Gordon, M. S. J. Chem. Phys. 2000, 113, 1005-1017
15. Yagi, K.; Hirao, K.; Taketsugu, T.; Schmidt, M. W.; Gordon, M. S. J. Chem. Phys. 2004, 121, 1383-1389
16. Matsunaga, N.; Chaban, G. M.; Gerber, R. B. J. Chem. Phys. 2002, 117, 3541-3547
17. Jung, J. O.; Gerber, R. B. J. Chem. Phys. 1996, 105, 10332-10348
18. Gordon, M. S.; Schmidt, M. W. Theory and Applications of Computational Chemistry: The First Forty Years; Elsevier: Amsterdam, The Netherlands, 2005.
19. Schmidt, M. W.; Baldridge, K. K.; Boatz, J. A.; Elbert, S. T.; Gordon, M. S.; Jensen, J. H.; Koseki, S.; Matsunaga, N.; Nguyen, K. A.; Su, S. J.; Windus, T. L.; Dupuis, M.; Montgomery, J. A. J. Comput. Chem. 1993, 14, 1347-1363
20. Bode, B. M.; Gordon, M. S. J. Mol. Graphics Modell. 1998, 16, 133-138
21. Piecuch, P.; Kucharski, S. A.; Kowalski, K.; Musial, M. Comput. Phys. Commun. 2002, 149, 71-96
22. Raghavachari, K.; Trucks, G. W.; Pople, J. A.; Head-Gordon, M. Chem. Phys. Lett. 1989, 157, 479-483
23. Dunning, T. H. J. Chem. Phys. 1989, 90, 1007-1023
24. Njegic, B.; Gordon, M. S. J. Chem. Phys. 2006, 125, 224102
25. Njegic, B.; Gordon, M. S. J. Chem. Phys. 2008, 129, 164107
26. Bragg, S. L.; Brault, J. W.; Smith, W. H. Astrophys. J. 1982, 263, 999-1004
27. Sanz, C.; Bodo, E.; Gianturco, F. A. Chem. Phys. 2005, 314, 135-142
28. Kraemer, W. P.; Spirko, V. Chem. Phys. 2006, 330, 190-203