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Oscillator strengths for electronic spectra of conjugated molecules from transition gradients. I

 

作者: D.P. Chong,  

 

期刊: Molecular Physics  (Taylor Available online 1968)
卷期: Volume 14, issue 3  

页码: 275-280

 

ISSN:0026-8976

 

年代: 1968

 

DOI:10.1080/00268976800100301

 

出版商: Taylor & Francis Group

 

数据来源: Taylor

 

摘要:

Oscillator strengths for ethylene and benzene are calculated from transition gradients in the molecular orbital approximation with zero differential overlap. The results are much closer to the experimental values than the oscillator strengths calculated from transition moments. The effect of inclusion of overlap and other effects are also investigated.

 

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