EHMO
基本解释
- [化] 推广的休克尔分子轨道法
英汉例句
- Its electronic structure is discussed by using EHMO method.
而且还用EHMO方法研究了配合物的电子结构。 - So the one-dimension band structures of [poly (para-phenylene)] (PPP) and its alkoxyl derivatives are calculated by the EHMO method (BICON-CEDiT code).
因此,我们利用该方法,采用BICON-CEDiT程序包优化了聚对苯撑(PPP)及其系列2,5位烷氧基取代衍生物的几何结构,并计算了各自的一维能带结构和电子态密度图。 - In this paper, activity problems of transition metals for molecular oxygen were studied by quantum chemical method, combining HMO with EHMO and CNDO.
本文用我们自已建立的以HMO为主的量子化学方法研究了过渡金属对氧分子的活化问题。 - Reactivity of electrophilic substitutions of different positions on phenanthrene are discussed according to the theory of Resonance,PMO method and EHMO method.
利用共振论、PMO法、EHMO法;对菲亲电取代反应各位点的活性进行了解释. - On the basis of the tight-binding approach in the energy-band theory,the EHMO crystal orbit program to be used in a microcomputer was compiled in the FORTRAN language.
根据能带理论中紧束缚近似方法，用FORTRAN语言编制了适于微机使用的EHMO晶体轨道程序。