EHMO

常见例句

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。
An Improvement on the LDOS of Crystal by EHMO Method
用EHMO方法计算晶体电子态密度的一种改进