ELECTRONIC-STRUCTURE, MAGNETIC-PROPERTIES, ELECTRON-SPIN-RESONANCE, AND OPTICAL-SPECTRA FOR 2-FE FERREDOXIN MODELS BY LCAO-X-ALPHA VALENCE BOND THEORY

被引:546
作者
NOODLEMAN, L [1 ]
BAERENDS, EJ [1 ]
机构
[1] FREE UNIV AMSTERDAM,DEPT THEORET CHEM,1081 HV AMSTERDAM,NETHERLANDS
关键词
D O I
10.1021/ja00320a017
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
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页码:2316 / 2327
页数:12
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