立方烷

系列类立方烷型Fe4S4簇合物的催化性质研究

Study on Catalytic Property of a Series of Cubane Like Fe_4S_4 Cluster Compounds

立方烷化学的新发展

THE NEW DEVELOPEMENT ON CUBANE CHEMISTRY ── Synthesis of Derivatives of Cubane

立方烷的硝基衍生物分子中的C–H键全都收缩，且伸展频率发生了蓝移。

The results showed that all of the intramolecular hydrogen bonds in nitro derivatives are blue - shifting .

本实验测定了双立方烷固氮模拟物（Et4N）4[Mo2Fe7S8（sph）（12）]的穆斯堡尔谱。

Mossbauer spectra of nitrogen model compounds with double-cubane configuration ( Et4N ) 4 [ Mo2Fe7S8 ( sph ) 12 ] have been measured .

MoFe3S4单立方烷原子簇研究Ⅲ.三核链状簇合物向单立方烷簇合物的转化及MoFe3S4（Et2NCS2）5·CH3CN的结构

Investigation of Single MoFe_3S_4 Cubane-Like Cluster Compounds III. The Conversion of Linear Trinuclear Cluster into Single Cubane Cluster and the Structure of MoFe_3S_4 ( Et_2NCS_2 ) _5 · CH_3CN

高立方烷酰胺及酯类衍生物的合成研究

Studies on the Synthesis of Homocubane Amide and Ester Derivatives

D3-三高立方烷亚甲基上引入硝基的新方法

A New Method for Introducing Nitro Group into the Secondary Carbons of D3-Trishomocubane

过渡金属类立方烷原子簇化合物电子结构和二阶非线性光学性质的密度泛函理论研究

Electronic Structure and Second-order NLO Properties of Cubane-like Transition Metal Cluster Compounds : A Density Functional Theory Study

过渡金属类立方烷型簇合物合成中的活性元件组装设想

A ' Unit Construction Approach to the Rational Syntheses of Transition Metal Cubane-Like Clusters by the Use of Reactive Fragments as Building Blocks

研究了具有欠完整立方烷构型的过渡金属原子簇分子的二阶非线性光学性质。

The second-order NLO properties of a series of tri-nuclear transition metal clusters with incomplete cubane-like structures were studied by using the first-principle quantum chemical method .

分子模拟的研究表明：虽然类立方烷结构簇分子的值比较小，但是通过合理的配体设计，获得具有较大值非线性光学晶体是可能的。

Though cubane-like clusters show little values , our calculations indicate that it is possible to obtain NLO crystals with large values by further appropriate molecular design .

这是一个双类立方烷的结构，2个单类立方烷的端基金属钨原子通过3个甲氧基桥联。[WFe3S4]与[MoFe3S4]簇核结构比较说明，两者存在一定的相似性。

The comparison between the cuboidal core [ WFe3S4 ] and the similar structure cuboidal core [ MoFe3S4 ] indicates that both of them are of similarity in some way .