Improved CNDO/S Calculation of Electronic Spectra of Organic Compounds. I. New CNDO/S Calculation by Using an Improved Method of One-Center Electron Repulsion Integral-Reference-Cited by-同舟云学术

Improved CNDO/S Calculation of Electronic Spectra of Organic Compounds. I. New CNDO/S Calculation by Using an Improved Method of One-Center Electron Repulsion Integral

Published:2006 Issue:5 Volume:54 Page:646-652
ISSN:0009-2363
Container-title:Chemical and Pharmaceutical Bulletin
language:en
Short-container-title:CHEMICAL & PHARMACEUTICAL BULLETIN

Author:

Hata Toshiyuki¹,Murakami Takahiro²,Shibuya Hirotaka¹,Ono Yukio¹

Affiliation:

1. Faculty of Pharmacy and Pharmaceutical Sciences, Fukuyama University

2. Data Development Section, System Yoshii Co. Ltd.

Publisher

Pharmaceutical Society of Japan

Subject

Drug Discovery,General Chemistry,General Medicine

Link

http://www.jstage.jst.go.jp/article/cpb/54/5/54_5_646/_pdf

Reference32 articles.

1. Use of the CNDO Method in Spectroscopy. I. Benzene, Pyridine, and the Diazines

2. The use of the CNDO method in spectroscopy

3. An intermediate neglect of differential overlap technique for spectroscopy: Pyrrole and the azines

4. Extension of the CNDO/S method to the calculation of aromatic and heterocyclic compounds containing Si, P, S and Cl.

5. A MO Theoretical Study of Organic Dyes I. Effect of Chemical Softness on the Electronic Spectra

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