Semiempirical Quantum Chemical Method and Artificial Neural Networks Applied for λmax Computation of Some Azo Dyes

American Chemical Society (ACS) - Tập 44 Số 6 - Trang 2047-2050 - 2004
Guozheng Li1, Jie Yang1, Haifeng Song1, Shang-Sheng Yang1, Wen-Cong Lu1, Nianyi Chen1
1Institute of Image Processing and Pattern Recognition, Shanghai Jiao Tong University, Shanghai, China 200030, Laboratory of Chemical Technology of Fine Chemicals, East China University of Science and Technology, Shanghai, China 200232, and Laboratory of Chemical Data Mining, Shanghai University, Shanghai, China 200436

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Tài liệu tham khảo

Griffiths J., 1976, Color and constitution of organic molecules

Zerner M. C., 1980, J. Am. Chem. Soc., 102, 599, 10.1021/ja00522a025

Starev K. K., 1995, J. Am. Chem. Soc., 117, 8685

Adachi M., 1991, Dyes Pigments, 17, 296, 10.1016/0143-7208(91)80021-Z

Song H.-F., 2004, Dyes Pigments, 60, 119

Hyperchem 7.0, the Hypercube Inc.http://www.hyper.com/, 2004.7.

Zupan J., 1999, Neural Networks in Chemistry and Drug Design, 2

Duda R. O., 2000, Pattern Classification, 2

Moody J. E., 1992, Advances in Neural Information Processing Systems, 4, 854

Tetko V. I., 1995, J. Chem. Inf. Comput. Sci., 35, 833, 10.1021/ci00027a006

Demuth, H.; Beale, M.Neural Network Toolbox User's Guide for Usewith MATLAB, 4th ed.; The Mathworks, Inc.  Massachusetts, 2001; Chapter 5, pp 51−61.

Luzhkov V., 1991, J. Am. Chem. Soc., 113, 4499, 10.1021/ja00012a018

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American Chemical Society (ACS)

Tập 44 Số 6

2047-2050

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