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Volumn 9, Issue 1, 1996, Pages 298-305

Conformational and electronic properties of the two cis (5S,6R) and (5R,6S) diastereoisomers of 5,6-dihydroxy-5,6-dihydrothymidine: X-ray and theoretical studies

Author keywords

[No Author keywords available]

Indexed keywords

5,6 DIHYDRO 5,6 DIHYDROXYTHYMIDINE; NUCLEOSIDE;

EID: 0030070658     PISSN: 0893228X     EISSN: None     Source Type: Journal    
DOI: 10.1021/tx9501344     Document Type: Article
Times cited : (6)

References (61)
  • 1
    • 0017910941 scopus 로고
    • Radiation-induced degradation of the base component in DNA and related substances. Final products
    • (Hütterman, J., Köhnlein, W., Téoule, R., and Bertinchamps, A. J., Eds.) Springer, Berlin
    • Téoule, R., and Cadet, J. (1978) Radiation-induced degradation of the base component in DNA and related substances. Final products. In Effects of Ionizing Radiation on DNA (Hütterman, J., Köhnlein, W., Téoule, R., and Bertinchamps, A. J., Eds.) pp 171-203, Springer, Berlin.
    • (1978) Effects of Ionizing Radiation on DNA , pp. 171-203
    • Téoule, R.1    Cadet, J.2
  • 2
    • 0023318603 scopus 로고
    • Radiation-induced DNA damage and its repair
    • Téoule, R. (1987) Radiation-induced DNA damage and its repair. Int. J. Radiat. Biol. 51, 573-589.
    • (1987) Int. J. Radiat. Biol. , vol.51 , pp. 573-589
    • Téoule, R.1
  • 4
    • 0023726166 scopus 로고
    • The repairability of oxidative free radical mediated damage to DNA
    • Teebor, G. W., Boorstein, R. J., and Cadet, J. (1988) The repairability of oxidative free radical mediated damage to DNA. Int. J. Radiat. Biol. 54, 131-150.
    • (1988) Int. J. Radiat. Biol. , vol.54 , pp. 131-150
    • Teebor, G.W.1    Boorstein, R.J.2    Cadet, J.3
  • 5
    • 0028691021 scopus 로고
    • DNA damage caused by oxidation, deamination, ultraviolet radiation and photoexcited psoralens
    • (Hemminki, K., Dipple, A., Shuker, D. E. G., Kadlubar, F. F., Segerback, D., and Bartsch, H., Eds.) IARC Scientific Publications 125, International Agency for Cancer Research, Lyon
    • Cadet, J. (1994) DNA damage caused by oxidation, deamination, ultraviolet radiation and photoexcited psoralens. In DNA adducts: Identifications and biological significance (Hemminki, K., Dipple, A., Shuker, D. E. G., Kadlubar, F. F., Segerback, D., and Bartsch, H., Eds.) IARC Scientific Publications 125, pp 245-276, International Agency for Cancer Research, Lyon.
    • (1994) DNA Adducts: Identifications and Biological Significance , pp. 245-276
    • Cadet, J.1
  • 6
    • 0017668133 scopus 로고
    • Thymine fragment damage retained in the DNA polynucleotide chain after gamma irradiation in aerated solution
    • Téoule, R., Bert, C., and Bonicel, A. (1977) Thymine fragment damage retained in the DNA polynucleotide chain after gamma irradiation in aerated solution. Radiat. Res. 72, 190-200.
    • (1977) Radiat. Res. , vol.72 , pp. 190-200
    • Téoule, R.1    Bert, C.2    Bonicel, A.3
  • 7
    • 0019886588 scopus 로고
    • Identification of the cis-thymine glycol moiety in chemically oxidized and γ irradiated deoxyribonucleic acid by high-pressure liquid chromatography analysis
    • Frenkel, K., Goldstein, M., and Teebor, G. W. (1981) Identification of the cis-thymine glycol moiety in chemically oxidized and γ irradiated deoxyribonucleic acid by high-pressure liquid chromatography analysis. Biochemistry 24, 7566-7571.
    • (1981) Biochemistry , vol.24 , pp. 7566-7571
    • Frenkel, K.1    Goldstein, M.2    Teebor, G.W.3
  • 8
    • 0024345656 scopus 로고
    • Immunochemical quantitation of thymine glycol in oxidized and X-irradiated DNA
    • Hubbard, K., Huang, H., Laspia, M. F., Erlanger, B. F., and Wallace, S. S. (1989) Immunochemical quantitation of thymine glycol in oxidized and X-irradiated DNA. Radiat. Res. 118, 257-268.
    • (1989) Radiat. Res. , vol.118 , pp. 257-268
    • Hubbard, K.1    Huang, H.2    Laspia, M.F.3    Erlanger, B.F.4    Wallace, S.S.5
  • 9
    • 0021919989 scopus 로고
    • Application of capillary gas chromatography-mass spectrometry to chemical characterization of radiation-induced base damage of DNA: Implications for assessing DNA repair processes
    • Dizdaroglu, M. (1985) Application of capillary gas chromatography-mass spectrometry to chemical characterization of radiation-induced base damage of DNA: implications for assessing DNA repair processes. Anal. Biochem. 144, 593-603.
    • (1985) Anal. Biochem. , vol.144 , pp. 593-603
    • Dizdaroglu, M.1
  • 11
    • 0015526966 scopus 로고
    • Formation and repair of γ-ray induced thymine damage in Micrococcus radiodurans
    • Hariharan, P. V., and Cerutti, P. A. (1972) Formation and repair of γ-ray induced thymine damage in Micrococcus radiodurans. J. Mol. Biol. 66, 65-81.
    • (1972) J. Mol. Biol. , vol.66 , pp. 65-81
    • Hariharan, P.V.1    Cerutti, P.A.2
  • 12
    • 0017104133 scopus 로고
    • Excision of ultraviolet and gamma ray products of the 5,6-dihydroxydihydrothymine type by nuclear preparations of xeroderma pigmentosum cells
    • Hariharan, P. V., and Cerutti, P. A. (1976) Excision of ultraviolet and gamma ray products of the 5,6-dihydroxydihydrothymine type by nuclear preparations of xeroderma pigmentosum cells. Biochim. Biophys. Acta 447, 375-378.
    • (1976) Biochim. Biophys. Acta , vol.447 , pp. 375-378
    • Hariharan, P.V.1    Cerutti, P.A.2
  • 13
    • 0023877298 scopus 로고
    • Relationship between the induction of mitotic gene conversion and the formation of thymine glycols in yeast S. cerivisiae treated with hydrogen peroxyde
    • Kaneko, M., Leadon, S. A., and Ito, K. (1988) Relationship between the induction of mitotic gene conversion and the formation of thymine glycols in yeast S. cerivisiae treated with hydrogen peroxyde. Mutat. Res. 207, 17-22.
    • (1988) Mutat. Res. , vol.207 , pp. 17-22
    • Kaneko, M.1    Leadon, S.A.2    Ito, K.3
  • 14
    • 0022637989 scopus 로고
    • Production of thymine glycols in DNA by N-hydroxy-2-naphthylamine as detected by a monoclonal antibody
    • Kaneko, M., and Leadon, S. A. (1986) Production of thymine glycols in DNA by N-hydroxy-2-naphthylamine as detected by a monoclonal antibody. Cancer Res. 46, 71-73.
    • (1986) Cancer Res. , vol.46 , pp. 71-73
    • Kaneko, M.1    Leadon, S.A.2
  • 15
    • 0025302212 scopus 로고
    • Production and repair of DNA damage in mammalian cells
    • Leadon, S. A. (1990) Production and repair of DNA damage in mammalian cells. Health. Phys. 59, 15-22.
    • (1990) Health. Phys. , vol.59 , pp. 15-22
    • Leadon, S.A.1
  • 16
    • 0343236658 scopus 로고
    • Thymine glycol and thymidine glycol in human and rat urine: A possible assay for oxidative DNA damage
    • Cathchart, R., Schwiers, E., Saul, R. L., and Ames, B. N. (1984) Thymine glycol and thymidine glycol in human and rat urine: A possible assay for oxidative DNA damage. Proc. Natl. Acad. Sci. U.SA., 81, 5633-5637.
    • (1984) Proc. Natl. Acad. Sci. U.SA. , vol.81 , pp. 5633-5637
    • Cathchart, R.1    Schwiers, E.2    Saul, R.L.3    Ames, B.N.4
  • 17
    • 0023950079 scopus 로고
    • Oxidative damage in DNA: Lack of mutagenicity by thymine glycol lesions
    • Hayes, R. C., Petrullo, L. A., Huang, H., Wallace, S. S., and Leclerc, J. E. (1988) Oxidative damage in DNA: lack of mutagenicity by thymine glycol lesions. J. Mol. Biol. 201, 239-246.
    • (1988) J. Mol. Biol. , vol.201 , pp. 239-246
    • Hayes, R.C.1    Petrullo, L.A.2    Huang, H.3    Wallace, S.S.4    Leclerc, J.E.5
  • 18
    • 0022432549 scopus 로고
    • Thymine gycol and urea residues in M13 DNA constitute replicative blocks in vitro
    • Ide, H., Kow, Y. W., and Wallace, S. S. (1985) Thymine gycol and urea residues in M13 DNA constitute replicative blocks in vitro. Nucleic Acids Res. 13, 8035-8052.
    • (1985) Nucleic Acids Res. , vol.13 , pp. 8035-8052
    • Ide, H.1    Kow, Y.W.2    Wallace, S.S.3
  • 19
    • 0023055848 scopus 로고
    • Sequence dependence for bypass of thymine glycols in DNA by DNA-polymerase I
    • Hayes, R. C., and Leclerc, J. E. (1986) Sequence dependence for bypass of thymine glycols in DNA by DNA-polymerase I. Nucleic Acids Res. 14, 1045-1061.
    • (1986) Nucleic Acids Res. , vol.14 , pp. 1045-1061
    • Hayes, R.C.1    Leclerc, J.E.2
  • 20
    • 0023055875 scopus 로고
    • Thymine glycol lesions terminate chain elongation by DNA-polymerase I in vitro
    • Clark, J. M., and Beardsley, G. P. (1986) Thymine glycol lesions terminate chain elongation by DNA-polymerase I in vitro. Nucleic Acids Res. 14, 737-749.
    • (1986) Nucleic Acids Res. , vol.14 , pp. 737-749
    • Clark, J.M.1    Beardsley, G.P.2
  • 21
    • 0024266708 scopus 로고
    • Dihydrothymine and thymidine glycol triphosphates as substrates for DNA polymerases: Differential recognition of thymine C5-C6 bond saturation and sequence specificity of incorporation
    • Ide, H., and Wallace, S. S. (1988) Dihydrothymine and thymidine glycol triphosphates as substrates for DNA polymerases: differential recognition of thymine C5-C6 bond saturation and sequence specificity of incorporation. Nucleic Acids Res. 16, 11339-11354.
    • (1988) Nucleic Acids Res. , vol.16 , pp. 11339-11354
    • Ide, H.1    Wallace, S.S.2
  • 22
    • 0027534539 scopus 로고
    • Thymine ring saturation and fragmentation products: Lesion bypass, misinsertion and implications for mutagenesis
    • Evans, J., Maccabee, M., Hatahet, Z., Courcelle, J., Bockrath, R., Ide, H., and Wallace, S. S. (1993) Thymine ring saturation and fragmentation products: lesion bypass, misinsertion and implications for mutagenesis. Mutat. Res. 299, 147-156.
    • (1993) Mutat. Res. , vol.299 , pp. 147-156
    • Evans, J.1    Maccabee, M.2    Hatahet, Z.3    Courcelle, J.4    Bockrath, R.5    Ide, H.6    Wallace, S.S.7
  • 23
    • 2642622799 scopus 로고
    • Genetic effects of thymidine glycol: Site-specific mutagenesis and molecular modeling studies
    • Basu, A. K., Loechler, E. L., Leadon, S. A., and Essigmann, J. M. (1989) Genetic effects of thymidine glycol: Site-specific mutagenesis and molecular modeling studies. Proc. Natl. Acad. Sci. U.SA., 86, 7677-7681.
    • (1989) Proc. Natl. Acad. Sci. U.SA. , vol.86 , pp. 7677-7681
    • Basu, A.K.1    Loechler, E.L.2    Leadon, S.A.3    Essigmann, J.M.4
  • 24
    • 0023664796 scopus 로고
    • Functional effects of cis-thymine glycol lesions on DNA syntheses in vitro
    • Clark, J. M., and Beardsley, G. P. (1987) Functional effects of cis-thymine glycol lesions on DNA syntheses in vitro. Biochemistry 26, 5398-5403.
    • (1987) Biochemistry , vol.26 , pp. 5398-5403
    • Clark, J.M.1    Beardsley, G.P.2
  • 25
    • 0023949620 scopus 로고
    • Enhanced transforming activity of pSV2 plasmids in human cells depends on the type of damage introduced into the plasmid
    • Spivak, G., Leadon, S. A., Vos, J. M., Meade, S., Hanawalt, P C., and Ganesan, A. K. (1988) Enhanced transforming activity of pSV2 plasmids in human cells depends on the type of damage introduced into the plasmid. Mutat. Res. 193, 97-108.
    • (1988) Mutat. Res. , vol.193 , pp. 97-108
    • Spivak, G.1    Leadon, S.A.2    Vos, J.M.3    Meade, S.4    Hanawalt, P.C.5    Ganesan, A.K.6
  • 26
    • 0018926091 scopus 로고
    • DNA-N-glycosylases and UV repair
    • Demple, B., and Linn, S. (1980) DNA-N-glycosylases and UV repair. Nature 287, 203-208.
    • (1980) Nature , vol.287 , pp. 203-208
    • Demple, B.1    Linn, S.2
  • 27
    • 0022392710 scopus 로고
    • Thymine lesions produced by ionizing radiation in double-stranded DNA
    • Breimer, L. H., and Lindahl, T. (1985) Thymine lesions produced by ionizing radiation in double-stranded DNA. Biochemistry 24, 4018-4022.
    • (1985) Biochemistry , vol.24 , pp. 4018-4022
    • Breimer, L.H.1    Lindahl, T.2
  • 28
    • 0027366974 scopus 로고
    • Substrate specificity of the Escherichia coli Endonuclease III: Excision of thymine and cytosine-derived lesions in DNA produced by radiation-generated free radicals
    • Dizdaroglu, M., Laval, J., and Boiteux, S. (1993) Substrate specificity of the Escherichia coli Endonuclease III: Excision of thymine and cytosine-derived lesions in DNA produced by radiation-generated free radicals. Biochemistry 32, 12105-12111.
    • (1993) Biochemistry , vol.32 , pp. 12105-12111
    • Dizdaroglu, M.1    Laval, J.2    Boiteux, S.3
  • 30
    • 0024468299 scopus 로고
    • A new mechanism for repairing oxidative damage to DNA: (A)BC exonuclease removes AP sites and thymine glycols from DNA
    • Lin, J. J., and Sancar, A. (1989) A new mechanism for repairing oxidative damage to DNA: (A)BC exonuclease removes AP sites and thymine glycols from DNA. Biochemistry 28, 7979-7984.
    • (1989) Biochemistry , vol.28 , pp. 7979-7984
    • Lin, J.J.1    Sancar, A.2
  • 31
    • 0025017257 scopus 로고
    • UvvABC nuclease complex repairs thymine glycol, an oxidative DNA base damage
    • Kow, Y. W., Wallace, S. S., and Van Houten, B. (1990) UvvABC nuclease complex repairs thymine glycol, an oxidative DNA base damage. Mutat. Res. 235, 147-156.
    • (1990) Mutat. Res. , vol.235 , pp. 147-156
    • Kow, Y.W.1    Wallace, S.S.2    Van Houten, B.3
  • 32
    • 0022872749 scopus 로고
    • Sensitized photo-oxidation of thymidine by 2-methyl-1,4-naphthoquinone. Characterization of the stable photoproducts
    • Decarroz, C., Wagner, J. R., van Lier, J. E., Murali Krishna, C., Riesz, P., and Cadet, J. (1986) Sensitized photo-oxidation of thymidine by 2-methyl-1,4-naphthoquinone. Characterization of the stable photoproducts. Int. J. Radiat. Biol. 50, 491-505.
    • (1986) Int. J. Radiat. Biol. , vol.50 , pp. 491-505
    • Decarroz, C.1    Wagner, J.R.2    Van Lier, J.E.3    Murali Krishna, C.4    Riesz, P.5    Cadet, J.6
  • 33
    • 0000820547 scopus 로고
    • Isomerization and new specific synthesis of thymine glycol
    • Cadet, J., Ulrich, J., and Téoule, R. (1975) Isomerization and new specific synthesis of thymine glycol. Tetrahedron 31, 2057-2061.
    • (1975) Tetrahedron , vol.31 , pp. 2057-2061
    • Cadet, J.1    Ulrich, J.2    Téoule, R.3
  • 34
    • 0001099306 scopus 로고
    • Préparation, isomérisation et configuration absolue des "hydrates" de thymine
    • Cadet, J., Ducolomb, R., and Téoule, R. (1977) Préparation, isomérisation et configuration absolue des "hydrates" de thymine (Preparation, isomerization, and absolute configuration of thymidine "hydrates"). Tetrahedron 33, 1603-1607.
    • (1977) Tetrahedron , vol.33 , pp. 1603-1607
    • Cadet, J.1    Ducolomb, R.2    Téoule, R.3
  • 35
    • 0018796632 scopus 로고
    • Proton magnetic resonance studies of 5,6-saturated thymidine derivatives produced by ionizing radiation. Conformational analysis of 6-hydroxylated diastereoisomers
    • Cadet, J., Ducolomb, R., and Hruska, F. E. (1979) Proton magnetic resonance studies of 5,6-saturated thymidine derivatives produced by ionizing radiation. Conformational analysis of 6-hydroxylated diastereoisomers. Biochim. Biophys. Acta 563, 206-215.
    • (1979) Biochim. Biophys. Acta , vol.563 , pp. 206-215
    • Cadet, J.1    Ducolomb, R.2    Hruska, F.E.3
  • 36
    • 0027304370 scopus 로고
    • Characterizations of the effects of a thymine glycol residue on the structure, dynamics, and stability of duplex DNA by NMR
    • Kao, J. I., Goljer, I., Phan, T. A., and Bolton, P. H. (1993) Characterizations of the effects of a thymine glycol residue on the structure, dynamics, and stability of duplex DNA by NMR. J. Biol. Chem. 268, 17787-17793.
    • (1993) J. Biol. Chem. , vol.268 , pp. 17787-17793
    • Kao, J.I.1    Goljer, I.2    Phan, T.A.3    Bolton, P.H.4
  • 37
    • 0023551817 scopus 로고
    • Characterization of a γ-radiation-induced decomposition product of thymidine. Crystal and molecular structure of the (-) cis (5R,6S) thymidine glycol
    • Hruska, F. E., Sebastian, R., Grand, A., Voituriez, L., and Cadet, J. (1987) Characterization of a γ-radiation-induced decomposition product of thymidine. Crystal and molecular structure of the (-) cis (5R,6S) thymidine glycol. Can. J. Chem. 65, 2618-2623.
    • (1987) Can. J. Chem. , vol.65 , pp. 2618-2623
    • Hruska, F.E.1    Sebastian, R.2    Grand, A.3    Voituriez, L.4    Cadet, J.5
  • 38
    • 0039421077 scopus 로고
    • The crystal and molecular structures of reaction products from γ-irradiation of thyline and cytosine: Cis-thymine glycol, C5H8N2O4, and trans-1-carbamoyl-imidazolidone-4,5-diol, C4H7N3O4
    • Flippen, J. L. (1973) The crystal and molecular structures of reaction products from γ-irradiation of thyline and cytosine: cis-thymine glycol, C5H8N2O4, and trans-1-carbamoyl-imidazolidone-4,5-diol, C4H7N3O4. Acta Crystallogr. B29, 1756-1762.
    • (1973) Acta Crystallogr. , vol.B29 , pp. 1756-1762
    • Flippen, J.L.1
  • 39
    • 0027190565 scopus 로고
    • Ab initio theoretical study of the structures of thymine glycol and dihydrothymine
    • Miaskiewicz, K., Miller, J., and Osman, R. (1993) Ab initio theoretical study of the structures of thymine glycol and dihydrothymine. Int. J. Radiat. Biol. 63, 677-686.
    • (1993) Int. J. Radiat. Biol. , vol.63 , pp. 677-686
    • Miaskiewicz, K.1    Miller, J.2    Osman, R.3
  • 40
    • 0342539152 scopus 로고
    • The mechanism of oxidation of thymine. 4,5-Dihydroxyhydrothymine (thymine glycol)
    • Baudisch, O., and Davidson, D. (1325) The mechanism of oxidation of thymine. 4,5-Dihydroxyhydrothymine (thymine glycol). J. Biol. Chem. 64, 233-239.
    • (1325) J. Biol. Chem. , vol.64 , pp. 233-239
    • Baudisch, O.1    Davidson, D.2
  • 41
    • 0001719495 scopus 로고
    • Isomérisation des 5-bromo-5,6-dihydro-6-hydroxythymidines. Préparation des formes anomères de la thymidine et de la 1-(2-désoxy-D-érythro-pentofuranosyl)-thymine
    • Cadet, J., and Téoule, R. (1973) Isomérisation des 5-bromo-5,6-dihydro-6-hydroxythymidines. Préparation des formes anomères de la thymidine et de la 1-(2-désoxy-D-érythro-pentofuranosyl)-thymine (Isomerization of 5-bromo-5,6-dihydro-6-hydroxythymidines. Preparation of anomeric forms of thymidine and 1-(2-deoxy-D-erythro-pentofuranosyl)thymine). Carbohydr. Res. 29, 345-361.
    • (1973) Carbohydr. Res. , vol.29 , pp. 345-361
    • Cadet, J.1    Téoule, R.2
  • 42
    • 0026760983 scopus 로고
    • Synthesis of the diastereoisomers of thymidine glycol, determination of concentrations and rates of interconversion of their cis-trans epimers at equilibrium and demonstration of differential alkali lability within DNA
    • Lustig, M. J, Cadet, J., Boorstein, J., and Teebor, G. W. (1992) Synthesis of the diastereoisomers of thymidine glycol, determination of concentrations and rates of interconversion of their cis-trans epimers at equilibrium and demonstration of differential alkali lability within DNA. Nucleic Acids Res. 20, 4839-4845.
    • (1992) Nucleic Acids Res. , vol.20 , pp. 4839-4845
    • Lustig, M.J.1    Cadet, J.2    Boorstein, J.3    Teebor, G.W.4
  • 43
    • 84945112463 scopus 로고
    • On the application of phase relationship to complex structures. V. Finding the solution
    • Declercq, J. P., Germain, G., Main, P., and Woolfson, M. M. (1973) On the application of phase relationship to complex structures. V. Finding the solution. Acta Crystallogr. A29, 231-234.
    • (1973) Acta Crystallogr. , vol.A29 , pp. 231-234
    • Declercq, J.P.1    Germain, G.2    Main, P.3    Woolfson, M.M.4
  • 44
    • 0038927998 scopus 로고
    • Report ORNL 59-4-37. Oak Ridge National Laboratory, Oak Ridge, TN
    • Busing, W. R., Martin, K. O., and Levy, H. A. (1971) ORFLS3, Report ORNL 59-4-37. Oak Ridge National Laboratory, Oak Ridge, TN.
    • (1971) ORFLS3
    • Busing, W.R.1    Martin, K.O.2    Levy, H.A.3
  • 45
    • 1842692143 scopus 로고
    • A general definition of ring puckering coordinates
    • Cremer, D., and Pople, J. A. (1975) A general definition of ring puckering coordinates. J. Am. Chem. Soc. 97, 1354-1358.
    • (1975) J. Am. Chem. Soc. , vol.97 , pp. 1354-1358
    • Cremer, D.1    Pople, J.A.2
  • 46
    • 0042113153 scopus 로고
    • Self-consistent equations including exchange and correlation effects
    • Khon, W., and Sham, L. J. (1965) Self-consistent equations including exchange and correlation effects. Phys. Rev. A140, 1133-1138.
    • (1965) Phys. Rev. , vol.A140 , pp. 1133-1138
    • Khon, W.1    Sham, L.J.2
  • 47
    • 0000216001 scopus 로고
    • Accurate spin-dependent electron liquid correlation energies for local spin density calulation: A critical analysis
    • Vosko, S. H., Wilk, L , and Nusair, M. (1980) Accurate spin-dependent electron liquid correlation energies for local spin density calulation: a critical analysis. Can. J. Phys. 58, 1200-1211.
    • (1980) Can. J. Phys. , vol.58 , pp. 1200-1211
    • Vosko, S.H.1    Wilk, L.2    Nusair, M.3
  • 48
    • 0001020259 scopus 로고
    • A new computational approach of the Slater's Xa equation
    • Sambe, H., and Felton, R. H. (1975) A new computational approach of the Slater's Xa equation. J. Chem. Phys. 62, 1122-1126.
    • (1975) J. Chem. Phys. , vol.62 , pp. 1122-1126
    • Sambe, H.1    Felton, R.H.2
  • 49
    • 36749106524 scopus 로고
    • On some approximations in applications of Xa theory
    • Dunlap, B. I., Connolly, J. W. D., and Sabin, J. R. (1979) On some approximations in applications of Xa theory. J. Chem. Phys. 71, 3396-3402
    • (1979) J. Chem. Phys. , vol.71 , pp. 3396-3402
    • Dunlap, B.I.1    Connolly, J.W.D.2    Sabin, J.R.3
  • 50
    • 9044227328 scopus 로고    scopus 로고
    • UNICHEM2.3 (1994) Cray Research Inc., 2360 Pilot Knob Rd., Mendota Heights, MN 55120
    • UNICHEM2.3 (1994) Cray Research Inc., 2360 Pilot Knob Rd., Mendota Heights, MN 55120.
  • 51
    • 0000409748 scopus 로고
    • Compact basis sets for LCAO-LSD calculations. Part I. Method and bases for scandium to zinc
    • Andzelm, J., Radzio, E., and Salahub, D. R. (1985) Compact basis sets for LCAO-LSD calculations. Part I. Method and bases for scandium to zinc. J. Comput. Chem. 6, 520-532.
    • (1985) J. Comput. Chem. , vol.6 , pp. 520-532
    • Andzelm, J.1    Radzio, E.2    Salahub, D.R.3
  • 52
    • 0001470765 scopus 로고
    • Optimization of gaussian-type basis sets for local spin density functionnal calculations. Part I. Boron through neon, optimization technique and validation
    • Godbout, N., Salahub, D. R., Andzelm, J., and Wimmer, E. (1992) Optimization of gaussian-type basis sets for local spin density functionnal calculations. Part I. Boron through neon, optimization technique and validation. Can. J. Chem. 70, 560-571.
    • (1992) Can. J. Chem. , vol.70 , pp. 560-571
    • Godbout, N.1    Salahub, D.R.2    Andzelm, J.3    Wimmer, E.4
  • 53
    • 4243553426 scopus 로고
    • Density functionnal exchange-energy approximation with correct asymptotic behaviour
    • Becke, A. D. (1988) Density functionnal exchange-energy approximation with correct asymptotic behaviour. Phys. Rev. A38, 3098-3100.
    • (1988) Phys. Rev. , vol.A38 , pp. 3098-3100
    • Becke, A.D.1
  • 54
    • 0043049887 scopus 로고
    • A multicenter numerical integration scheme for polyatomic molecules
    • Becke, A. D. (1988) A multicenter numerical integration scheme for polyatomic molecules. J. Chem. Phys. 88, 2547-2552.
    • (1988) J. Chem. Phys. , vol.88 , pp. 2547-2552
    • Becke, A.D.1
  • 55
    • 5944261746 scopus 로고
    • Density functionnal approximation for the correlation energy of the inhomogeneous electron gas
    • Perdew, J. P. (1986) Density functionnal approximation for the correlation energy of the inhomogeneous electron gas. Phys. Rev. B33, 8822-8824.
    • (1986) Phys. Rev. , vol.B33 , pp. 8822-8824
    • Perdew, J.P.1
  • 57
    • 11644266970 scopus 로고
    • Electronic population analysis on LCAO-MO molecular wave functions
    • Mulliken, R. S. (1955) Electronic population analysis on LCAO-MO molecular wave functions. J. Chem. Phys. 23, 1833-1840.
    • (1955) J. Chem. Phys. , vol.23 , pp. 1833-1840
    • Mulliken, R.S.1
  • 58
    • 0003360141 scopus 로고
    • Crystal and molecular structure of (-)-(5S)-5-hydroxy-5,6-dihydrothymidine
    • Grand, A., and Cadet, J. (1978) Crystal and molecular structure of (-)-(5S)-5-hydroxy-5,6-dihydrothymidine. Acta Crystallogr. B34, 1524-1528.
    • (1978) Acta Crystallogr. B , vol.34 , pp. 1524-1528
    • Grand, A.1    Cadet, J.2
  • 59
    • 0015511563 scopus 로고
    • Conformational analysis of the sugar ring in nucleosides and nucleotides. A new description using the concept of pseudorotation
    • Altona, C., and Sundaraligam, M. (1972) Conformational analysis of the sugar ring in nucleosides and nucleotides. A new description using the concept of pseudorotation. J. Am. Chem. Soc. 94, 8205-8212.
    • (1972) J. Am. Chem. Soc. , vol.94 , pp. 8205-8212
    • Altona, C.1    Sundaraligam, M.2


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