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CALCULATIONS FOR CRYSTAL COHESIVE ENERGY OF TRANSITION METAL COMPOUND 被引量:3

CALCULATIONS FOR CRYSTAL COHESIVE ENERGY OF TRANSITION METAL COMPOUND
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摘要 Based on the empirital electron theory of solids and molecules and the treatment of thecrystal cohesive energy of alkali metal, alkaline-earth metal and transition metal, this paperpresents a calculation method for the transition metal compound, by which a number ofcomplex structures of several compounds have been calculated and some results in agreementwith the experimental values obtained. Based on the empirital electron theory of solids and molecules and the treatment of thecrystal cohesive energy of alkali metal, alkaline-earth metal and transition metal, this paperpresents a calculation method for the transition metal compound, by which a number ofcomplex structures of several compounds have been calculated and some results in agreementwith the experimental values obtained.
出处 《Science China Mathematics》 SCIE 1989年第3期351-360,共10页 中国科学:数学(英文版)
关键词 transition metal COMPOUND CRYSTAL COHESIVE energy ionization-like and affinity-like for polar bond. transition metal compound crystal cohesive energy ionization-like and affinity-like for polar bond.
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