acetylide complexes

The geometries on M(C2H2)+(M=Sc,Ti,V) complexes were completely optimized by using density function theory(DFT)B3LYP/6-311+G(3d,2p) calculations.

采用密度泛函(DFT)计算方法,在UB3LYP/6-311+G(3d,2p)水平上优化了过渡金属正离子乙炔络合物M(C2H2)+(M=Sc,Ti,V)不同自旋态的稳定几何构型,并对此络合物体系的全部振动频率进行了计算和全面分析。

The geometries on M(C2H2)+(M=Co,Ni,Cu)complexes were completely optimized by using density function theory(DFT)B3LYP/6-311+G(3d,2p) calculations.

采用密度泛函(DFT)计算方法,在UB3LYP/6-311+G(3d,2p)水平上优化了后过渡金属正离子乙炔络合物M(C2H2)+(M=Co,Ni,Cu)不同自旋态的稳定几何构型,并对此络合物体系的全部振动频率进行了计算和全面分析。

Studies on the Properties of Polyarylacetylene Composites;

芳基乙炔聚合物复合材料的高温性能

Studies on the Ablation Properties of Carbon Fiber/Polyarylacetylene Composites;

碳/芳基乙炔聚合物复合材料的烧蚀性能

Properties of novel heat resistant polyarylacetylene;

新型耐热材料芳基乙炔聚合物的性能