CNDO

基本解释

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。
The CNDO total energies of these complexes show that the crowns could coordinate with the hydrated alkali ions to form stable hydrated complexes in aqueous solution. 2figs., 5tabs,.9refs.
配合物的总能量计算还表明.;在溶液中;碱金属水合离子与冠醚配位将形成稳定的水合物
Semiempirical CNDO Investigations of H,F and CI Chemisorbed on Si (111)
H、F、Cl/Si(111)化学吸附的半经验CNDO法研究
Keywords CNDO method;quantumchemistry;xanthate;copper sulphide;copper oxide;
CNDO法;量子化学;黄药;硫化铜矿物;氧化铜矿物;
THEORETICAL STUDY ON Cp_2TiAlH_4 AND Cp_2TiBH_4 ELECTRONIC STRUCTURES BY CNDO METHOD
Cp_2TiAlH_4和Cp_2TiBH_4电子结构的CNDO研究