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Volumn 82, Issue 1, 2009, Pages 70-75

Experimental and computational studies on the dipole moments of annulated-tropones and 1,4-polyacenequinones

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE RINGS; BENZOQUINONES; COMPUTATIONAL STUDIES; NAPHTHOQUINONE;

EID: 58349089236     PISSN: 00092673     EISSN: 13480634     Source Type: Journal    
DOI: 10.1246/bcsj.82.70     Document Type: Article
Times cited : (4)

References (32)
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    • U. Eckart, M. P. Fülscher, L. Serrano-Andrés, A. J. Sadlej, J. Chem. Phys. 2000, 113, 6235, see also the references therein.
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    • The detail of the synthesis and spectroscopic properties of compounds 3 and 4 will appear elsewhere
    • The detail of the synthesis and spectroscopic properties of compounds 3 and 4 will appear elsewhere.
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    • -30C m.
    • -30C m.
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    • For the atomic polarization, it is difficult to measure it precisely, so sometimes this value was postulated as several percent of the molecular refraction. Here, we had no implement for atomic polarization
    • For the atomic polarization, it is difficult to measure it precisely, so sometimes this value was postulated as several percent of the molecular refraction. Here, we had no implement for atomic polarization.
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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
    • 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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    • Unpublished results
    • Unpublished results.
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    • -01798n for HF and B3LYP calculations, respectively.
    • -01798n for HF and B3LYP calculations, respectively.
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    • π-Electrons have high polarization due to mobility, and have drawn attention with respect to organic nonlinear optical materials. For example: O. Watanabe, R&D Review of Toyota CRDL, 1992, 27 (No. 3), pp. 3-13.
    • π-Electrons have high polarization due to mobility, and have drawn attention with respect to organic nonlinear optical materials. For example: O. Watanabe, R&D Review of Toyota CRDL, 1992, Vol. 27 (No. 3), pp. 3-13.
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    • -01370n for HF and B3LYP calculations, respectively.
    • -01370n for HF and B3LYP calculations, respectively.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.