2) organometallic tungsten complex
过渡金属钨有机化合物
1.
The theoretical studies on a series of α-hydrogen shift reactions of the organometallic tungsten complexes were carried out with the density functional theory B3LYP method.
研究结果表明 ,过渡金属钨有机化合物中 ,发生α 氢转移的碳原子在过渡态中采用sp2 杂化 。
3) d~0 organometallic complex
d0过渡金属有机化合物
5) transition metal complex
过渡金属化合物
1.
Dipole moments, polarizabilities and first hyperpolarizabilities of a series of transition metal complexes have been studied by employing various exchange-correlated potentials within the density functional theory (DFT).
在优化几何构型的基础上 ,对一系列强关联过渡金属化合物 ,采用密度泛函理论方法中各种交换关联势计算了电子偶极矩、一阶光学极化率和一阶光学超极化率 。
6) Transition metal compounds
过渡金属化合物
1.
Competing orders and collective phenomena in transition metal compounds;
过渡金属化合物中的竞争序与多体合作现象
2.
By the first principles plane-wave pseudopotential calculations based on the density functional theory,we studied the equations of states and structural properties of transition metal compounds OsB_2 and OsO_2 and the possible high pressure phase transitions of OsO_2.
利用基于密度泛函理论平面波赝势法的第一性原理计算,研究了过渡金属化合物OsB2和OsO2的金红石相、黄铁矿相与萤石相三种结构在高压下的状态方程和结构特性以及OsO2可能的高压相变。
3.
Transition metal compounds is a main topic in condensed matter physics for their interesting and abnormal properties, such as high-T_c superconductivity, high thermoelectric efficiency, et al, which have attracted much attention of researching.
过渡金属化合物是凝聚态物理中的研究热点之一，它包含了丰富而奇异的物理性质，如铜氧化物的高温超导电性，钴氧化物的高效热电效率等等。
补充资料：金属有机化合物
见元素有机化合物。
说明：补充资料仅用于学习参考，请勿用于其它任何用途。
参考词条