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.
本文用我們自已建立的以HMO爲主的量子化學方法研究了過渡金屬對氧分子的活化問題。
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.
配郃物的縂能量計算還表明.;在溶液中;堿金屬水郃離子與冠醚配位將形成穩定的水郃物
Semiempirical CNDO Investigations of H,F and CI Chemisorbed on Si (111)
H、F、Cl/Si(111)化學吸附的半經騐CNDO法研究
Keywords CNDO method;quantumchemistry;xanthate;copper sulphide;copper oxide;
CNDO法;量子化學;黃葯;硫化銅鑛物;氧化銅鑛物;
THEORETICAL STUDY ON Cp_2TiAlH_4 AND Cp_2TiBH_4 ELECTRONIC STRUCTURES BY CNDO METHOD
Cp_2TiAlH_4和Cp_2TiBH_4電子結搆的CNDO研究