Browse > Article
http://dx.doi.org/10.5012/bkcs.2012.33.4.1413

Density Functional Theoretical Study on the Hydricities of(η5-C5H5)M(CO)2H (M = Fe, Ru, and Os) in Acetonitrile  

Cho, Young-Seuk (Department of Statistics, Pusan National University)
Lee, Jae-Beom (Department of Nanomedical Engineering, Pusan National University)
Hwang, Sun-Gu (Department of Nanomedical Engineering, Pusan National University)
Publication Information
Bulletin of the Korean Chemical Society / v.33, no.4, 2012 , pp. 1413-1415 More about this Journal
Keywords
DFT; Hydricity; Transition metal hydride complexes;
Citations & Related Records
 (Related Records In Web of Science)
연도 인용수 순위
  • Reference
1 Tannor, D. J.; Marten, B.; Murphy, R.; Friesner, R. A.; Sitkoff, D.; Nicholls, A.; Ringnalda, M. N.; Goddard, W. A., III.; Honig, B. J. Am. Chem. Soc. 1994, 116, 11875.   DOI   ScienceOn
2 Jang, Y. H.; Goddard, W. A., I. J. Phys. Chem. B 2006, 110, 7660.   DOI   ScienceOn
3 Estes, D. P.; Vannucci, A. K.; Hall, A. R.; Lichtenberger, D. L.; Norton, J. R. J. Am. Chem. Soc. 2011, 30, 3444.
4 Creutz, C.; Chou, M. H. J. Am. Chem. Soc. 2009, 131, 2794.   DOI   ScienceOn
5 Alajarn, M.; Bonillo, B.; Ortn, M.-M.; Snchez-Andrada, P.; Vidal, A. Org. Lett. 2006, 8, 5645.   DOI   ScienceOn
6 Mayr, H.; Lang, G.; Ofial, A. R. J. Am. Chem. Soc. 2002, 124, 4076.   DOI   ScienceOn
7 Hayashi, H.; Ogo, S.; Abura, T.; Fukuzumi, S. J. Am. Chem. Soc. 2003, 125, 14266.
8 Kang, S.-B.; Cho, Y. S.; Hwang, S. Bull. Korean Chem. Soc. 2009, 30, 2927.   DOI
9 Hwang, S.; Jang, Y. H.; Chung, D. S. Bull. Korean Chem. Soc. 2005, 26, 585.   DOI
10 Jang, Y. H.; Goddard, W. A., III.; Noyes, K. T.; Sowers, L. C.; Hwang, S.; Chung, D. S. Chem. Res. Toxicol. 2002, 15, 1023.   DOI   ScienceOn
11 Jang, Y. H.; Goddard, W. A., III.; Noyes, K. T.; Sowers, L. C.; Hwang, S.; Chung, D. S. J. Phys. Chem. B 2003, 107, 344.   DOI   ScienceOn
12 Jang, Y. H.; Hwang, S.; Chung, D. S. Chem. Lett. 2007, 36, 1496.   DOI   ScienceOn
13 Rogstad, K. N.; Jang, Y. H.; Sowers, L. C.; Goddard, W. A., III. Chem. Res. Toxicol. 2003, 16, 1455.   DOI   ScienceOn
14 Schrodinger. Jaguar, 5.5 ed.; Schrodinger: Portland, OR, 1991- 2003.
15 Vosko, S. H.; Wilk, L.; Nusair, M. Can. J. Phys. 1980, 58, 1200.
16 Becke, A. D. Phys. Rev. A 1988, 38, 3098.   DOI   ScienceOn
17 Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.   DOI   ScienceOn
18 Slater, J. C. The Self-Consistent Field for Molecules and Solids; McGraw-Hill: New York, 1974.
19 Marten, B.; Kim, K.; Cortis, C.; Friesner, R. A.; Murphy, R. B.; Ringnalda, M. N.; Sitkoff, D.; Honig, B. J. Phys. Chem. 1996, 100, 11775.   DOI   ScienceOn