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Hydrogen Bonds, ed. by P. Schuster, Springer-Verlag, Berlin and Tokyo, 1984;
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33847157427
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For the band c of 2, the relative intensities of type I and type II calculated by using B3LYP/6-311G** with the solvent effect are (0.36:0.80), (0.31:0.74) for ε = 2.229 and ε = 7:58, respectively. The Onsager model was used for the solvent effect calculations.
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For the band c of 2, the relative intensities of type I and type II calculated by using B3LYP/6-311G** with the solvent effect are (0.36:0.80), (0.31:0.74) for ε = 2.229 and ε = 7:58, respectively. The Onsager model was used for the solvent effect calculations.
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20
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33847157590
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2-Hydroxy-3-methyl-1,4-naphthoqinone: F. Radt, Elsevier's Encyclopedia of Organic Chemistry, 1952, 12B;
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2-Hydroxy-3-methyl-1,4-naphthoqinone: F. Radt, Elsevier's Encyclopedia of Organic Chemistry, 1952, Vol. 12B;
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21
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33847169166
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3-Chloro-2-hydroxy-1,4-naphthoquinone: F. Radt, Elsevier's Encyclopedia of Organic Chemistry, 1952, 12B;
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3-Chloro-2-hydroxy-1,4-naphthoquinone: F. Radt, Elsevier's Encyclopedia of Organic Chemistry, 1952, Vol. 12B;
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22
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33847147757
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3-Bromo-2-hygroxy-1,4-naphthoquinone and 2-hydroxy-3-iodo-1,4- naphthoquinone: F. Kehrmann, B. Mascioni, Berichte 1895, 27, 345.
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3-Bromo-2-hygroxy-1,4-naphthoquinone and 2-hydroxy-3-iodo-1,4- naphthoquinone: F. Kehrmann, B. Mascioni, Berichte 1895, 27, 345.
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23
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33847096562
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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, N. Rega, P. Salvador, J. J. Dannenberg, 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, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S. Replogle, J. A. Pople, Gaussian 98, Revision A.11.2, Gaussian, Inc, Pittsburgh, PA, 2001
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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, N. Rega, P. Salvador, J. J. Dannenberg, 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, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S. Replogle, J. A. Pople, Gaussian 98, Revision A.11.2, Gaussian, Inc., Pittsburgh, PA, 2001.
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