Density functional theory investigations on the conformational stability and vibrational spectra of the model compound of vitamin K

Journal of Molecular Structure: THEOCHEM

Volumn 820, Issue 1-3, 2007, Pages 40-47

  Guo, Yong ^a   Xue, Ying ^a   De Zhu, Xian ^a   Yan, Guo Sen ^a  

^a SICHUAN UNIVERSITY   (China)

Author keywords

Conformational stability; Density functional theory; Normal mode analysis; SQM force field; Vitamin K

Indexed keywords

EID: 34548478533     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2007.06.002     Document Type: Article

References (30)

1. Snyder C.D., and Rapoport H. J. Am. Chem. Soc. 91 (1969) 731
2. Leary G., and Porter G. J. Chem. Soc. A (1970) 2273
3. Wilson R.M., Walsh T.F., and Gee S.K. Tetrahedron Lett. 21 (1980) 3459
4. Creed D., Werbin H., and Daniel T. Tetrahedron Lett. 22 (1981) 2039
5. Burie J.R., Boussac A., Boullais C., Berger G., Mattioli T., Mioskowski C., Nabedryk E., and Breton J. J. Phys. Chem. 99 (1995) 4059
6. Balakrishnan G., and Umapathy S. J. Mol. Struct. 475 (1999) 5
7. Hangarter M.A., Hörmann A., Kamdzhilov Y., and Wirz J. Photochem. Photobiol. Sci. 2 (2003) 524
8. Shearer M.J. The Lancet 345 (1995) 229
9. Dowd P., Ham S.W., and Geib S.J. J. Am. Chem. Soc. 113 (1991) 7734
10. Uma D.P., Solomon F.E., and Sharada A.C. Pharm. Biotechnol. 37 (1999) 231
11. Wallace B.J., and Young I.G. Biochem. Biophys. Acta 461 (1977) 84
12. Michel H., and Deisenhofer J. Biochemistry 27 (1988) 1
13. Burie J.R., Boussac A., Boullais C., Berger G., Mattioli T., Mioskowski C., Nabedryk E., and Breton J. J. Phys. Chem. 99 (1995) 4059
14. Breton J., Burie J.R., Berthomieu C., berger G., and Nabedryk E. Biochemistry 33 (1994) 4953
15. Balakrishnan G., Mohandas P., and Umapathy S. J. Phys. Chem. 100 (1996) 16475
16. Balakrishnan G., Mohandas P., and Umapathy S. Spectrochim. Acta A 53 (1997) 1553
17. Grafton A.K., Boesch S.E., and Wheeler R.A. J. Mol. Struct. (THEOCHEM) 392 (1997) 1
18. Balakrishnan G., and Umapathy S. J. Mol. Struct. 475 (1999) 5
19. Bauscher M., and Mäntele W. J. Phys. Chem. 96 (1992) 11101
20. Sajan D., Laladhas K.P., Hubert Joe I., and Jayakumar V.S. J. Raman Spectrosc. 36 (2005) 1001
21. M.J. Frisch, G.W. Trucks, H.B. Schlegel, et al., Gaussian 03 D.01, Gaussian, Inc., Pittsburgh, PA, 2005.
22. Pulay P., Fogarasi G., Pang G., and Boggs J.E. J. Am. Chem. Soc. 101 (1979) 2550
23. Yan G.S., Xue Y., and Xie D.Q. Sci. China Ser. B 41 (1998) 91
24. Pulay P., Fogarasi G., Pongor G., Boggs J.E., and Vargha A. J. Am. Chem. Soc. 105 (1983) 7037
25. Andersson M.P., and Uvdal P. J. Phys. Chem. A 109 (2005) 2937
26. Xue Y., Xie D.Q., and Yan G.S. Int. J. Quantum Chem. 76 (2000) 686
27. Xue Y., Xu D.G., Xie D.Q., and Yan G.S. Chem. J. Chin. Univ. 21 (2000) 1293
28. Zhang C., and Xue Y. J. Mol. Struct. (THEOCHEM) 802 (2007) 35
29. Wilson E.B., Decius J.C., and Cross P.C. Molecular Vibrations (1955), McGraw-Hill, New York
30. Lee S.Y., and Boo B.H. J. Phys. Chem. 100 (1996) 15073