EHMO

常見例句

• Its electronic structure is discussed by using EHMO method.
  而且還用EHMO方法研究了配合物的電子結(jié)構(gòu)。
• 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,我們利用該方法,采用BICON-CEDiT程序包優(yōu)化了聚對苯撐(PPP)及其系列2,5位烷氧基取代衍生物的幾何結(jié)構(gòu),并計算了各自的一維能帶結(jié)構(gòu)和電子態(tài)密度圖。
• In this paper, activity problems of transition metals for molecular oxygen were studied by quantum chemical method, combining HMO with EHMO and CNDO.
  本文用我們自已建立的以HMO為主的量子化學(xué)方法研究了過渡金屬對氧分子的活化問題。
• Reactivity of electrophilic substitutions of different positions on phenanthrene are discussed according to the theory of Resonance,PMO method and EHMO method.
  利用共振論、PMO法、EHMO法;對菲親電取代反應(yīng)各位點(diǎn)的活性進(jìn)行了解釋.
• 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.
  根據(jù)能帶理論中緊束縛近似方法，用FORTRAN語言編制了適于微機(jī)使用的EHMO晶體軌道程序。
• An Improvement on the LDOS of Crystal by EHMO Method
  用EHMO方法計算晶體電子態(tài)密度的一種改進(jìn)
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