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A SCHEME FOR CALCULATING ATOMIC CHARGE-DISTRIBUTION IN LARGE MOLECULES BASED ON DENSITY-FUNCTIONAL THEORY AND ELECTRONEGATIVITY EQUALIZATION 期刊论文
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1994, 卷号: 118, 期号: 2
作者:  SHEN, EZ;  WANG, LH;  YANG, ZZ
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APPLICATION OF ELECTRONEGATIVITY EQUALIZATION PRINCIPLE TO CALCULATION OF ATOMIC CHARGES IN A MOLECULE 期刊论文
CHINESE SCIENCE BULLETIN, 1994, 卷号: 39, 期号: 14
作者:  YANG, ZZ;  SHEN, EZ
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