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Quantum chemical investigations of charge transfer interactions in relation to the electronic theory of cancer. II

 

作者: John R. Ball,   Colin Thomson,  

 

期刊: Journal of Computational Chemistry  （WILEY Available online 1980）
卷期: Volume 1, issue 3  

页码: 275-280

 

ISSN:0192-8651

 

年代: 1980

 

DOI:10.1002/jcc.540010309

 

出版商: John Wiley&Sons, Inc.

 

数据来源: WILEY

 

摘要:

AbstractThe results ofab initio“supermolecule” calculations of the charge transfer between formamide and methylglyoxal, ethylglyoxal, and dimethylglyoxal are compared for several different relative conformations of the constituent molecules. The charge transfer properties of ethylglyoxal were found to be quite different to those of the other two glyox

 

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