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Volumn 100, Issue 3, 1996, Pages 941-953

Molecular structure and vibrational IR spectra of cytosine and its thio and seleno analogues by density functional theory and conventional ab initio calculations

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EID: 33748537430     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9514640     Document Type: Article
Times cited : (127)

References (88)
  • 10
    • 85033054096 scopus 로고    scopus 로고
    • note
    • 3 are quoted here. References for the original sources of the experimental data mentioned in this article, as well as for several theoretical papers on cytosine and thiocytosine, may be found in refs 5, 6, and 18-27.
  • 16
    • 0042117475 scopus 로고
    • For recent DFT studies of cytosine see: (a) Estrin, D. A.; Paglieri, L.; Corongiu, G. J. Phys. Chem. 1994, 98, 5653; geometry, molecular properties, tautomeric equilibria, vibrational IR spectra of the tautomers.
    • (1994) J. Phys. Chem. , vol.98 , pp. 5653
    • Estrin, D.A.1    Paglieri, L.2    Corongiu, G.3
  • 17
    • 84986501678 scopus 로고
    • (b) Santamaria, R.; Vazquez, A. J. Comput. Chem. 1994, 15, 981; geometry, vibrational IR spectra, change of properties upon base-pair formation (with guanine).
    • (1994) J. Comput. Chem. , vol.15 , pp. 981
    • Santamaria, R.1    Vazquez, A.2
  • 26
    • 84882128602 scopus 로고
    • Zingaro, R. A., Cooper, W. C., Eds. Van Nostrand Reinhold: New York
    • (a) Zingaro, R. A., Cooper, W. C., Eds. Selenium; Van Nostrand Reinhold: New York, 1974.
    • (1974) Selenium
  • 43
    • 85033053892 scopus 로고
    • Ph.D. Dissertation, University of Florida
    • (a) KuBulat, K. Ph.D. Dissertation, University of Florida, 1989.
    • (1989)
    • KuBulat, K.1
  • 44
    • 85033035605 scopus 로고
    • Unpublished work private information
    • (b) Person, W. B.; KuBulat, K. Unpublished work (private information, 1989).
    • (1989)
    • Person, W.B.1    KuBulat, K.2
  • 53
    • 85033037302 scopus 로고
    • Ph.D. Thesis, Institute of Biochemistry and Biophysics, Polish Academy of Sciences, Warszawa
    • (b) Kulakowska, I. Ph.D. Thesis, Institute of Biochemistry and Biophysics, Polish Academy of Sciences, Warszawa, 1975.
    • (1975)
    • Kulakowska, I.1
  • 77
    • 37049095075 scopus 로고
    • Relative tautomeric stabilities of cytosine and their derivatives have been studied by conventional ab initio methods in several papers: (a) Scanlan, M. J.; Hillier, I. H. J. Chem. Soc., Chem. Commun. 1984; p 102.
    • (1984) J. Chem. Soc., Chem. Commun. , pp. 102
    • Scanlan, M.J.1    Hillier, I.H.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.