Ab initio theoretical studies of relative stabilities and IR spectrum of 5-methylcytosine tautomers

Journal of Chemical Research - Part S

Volumn , Issue 4, 2003, Pages 195-199

  Ghassemzadeh, Lida ^a   Monajjemi, Majid ^a   Zare, Karim ^a  

^a ISLAMIC AZAD UNIVERSITY   (Iran)

Author keywords

5 methylcytosine tautomers; Physico chemical properties

Indexed keywords

5 METHYLCYTOSINE; SOLVENT;

AB INITIO CALCULATION; ARTICLE; CHEMICAL STRUCTURE; DENSITY; DENSITY FUNCTIONAL THEORY; DIELECTRIC CONSTANT; GEOMETRY; INFRARED SPECTROSCOPY; PHYSICAL CHEMISTRY; STRUCTURE ANALYSIS; VIBRATION;

EID: 0042734750     PISSN: 03082342     EISSN: None     Source Type: Journal    
DOI: 10.3184/030823403103173705     Document Type: Article

References (25)

1. P.O. Lowdin, Adv. Quanti Chem. 1965, 2, 213.
2. J.D. Watson and F.H.C. Crick, Nature(London) 1953, 171, 1964.
3. V.I. Danilov and G.F. Kventsel, Electronic Representation in the Point Mutation Theory (in Russian) (naukova Dumka, kiev, 1971).
4. R. Rein, M. Shibata, R. Garduno-Juarez and T. Kieber-Emmons, in Structure and Dynamics: Nucleic Acids and Proteins, eds. E. Clementi and R.H. Sarma, Adenine Press, Guilderland, N.Y. 1983, p.269.
5. W. Saenger; Principles of nucleic acid structure, Springer-Welag; New York, 1984.
6. G.M. Blackborn and M.J. Gait. Nucleic acids in chemistry and biology, Oxford University Press, Oxford 1996.
7. E.Li, H. Bestor and R. Jaerish, Cell 1992, 69, 915.
8. S.B. Baylin, Cancer Cells, 1992, 69, 91.
9. E.Li, R. Beard and R. Jaenish, Nature, 1993, 366, 362.
10. S.T. Warrant, C.T. Ashley, Ann. Rev. Neurosci, 1995, 94, 2545.
11. R.F. Weaver, P.W. Hedrick, Basic Genetics, Wm C. Brown, Dubuque, Iowa, 1991.
12. W. Doerfler, Annu. Rev. Bio Chem., 1983, 52, 93.
13. L. Lapinski, M.J. Nowak, J. Fulara, A. Les and L. Adamowicz, J. Phys. Chem., 1990, 94, 6555.
14. M. Monajjemi, R. Fazaeli, K. Zare, F. Ataherian and J.M. Struct THEOCHEM in press.
15. Gaussian98, RevisionA.7, M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, Jr., R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman J. Cioslowski, J.V. Ortiz, A.G. Baboul, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle and J.A. Pople, Gaussian, Inc., Pittsburgh PA, 1998.
16. J. Tomasi and M. Persico, Chem. Rev., 1994, 94, 2027.
17. J. Tomasi, In: C.J. Cramer and D.G. Truhlar (eds), Structure and reactivity in Aqueous Solution, Am. Chem. Soc., Washington, DC, 1994, p.10.
18. L. Paglieni, G. Corongin and D.A. Estrin, Int. J. Quantum Chem., 1995, 56, 615.
19. R. Kobayashi, J. Phys. Chem A 102 1998 10813.
20. J.R. Sambrano, A.R. Souza, J.J. Queralt and J. Andres, Chem. Phys. Lett., 2000, 317, 437
21. J. Lesczynski, In: P.V.R. Schleyer (ed.), Encyclopedia of Computational Chemistry, Vol. 5 Wiley, New York, 1999, p.2951.
22. M.J. Nowak, L. Lapinski and J. Fulara, J. Spectro Chem. Acta, 1989, 45A, 229.
23. J.S. Kwiakowski and J. Lesczynski, J. Mol. Struct., 1996, 376, 325.
24. L. Lapinski, M.J. Nwak, A. Les and L.Adamowicz, Vibra. Spectrosc., 1995, 8, 313.
25. J.S. Wiatkowski and J. Leszczynski, J. Mol. Struct. (THEOCHEM), 1994, 312, 201.