CNDO

常見例句

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.
配合物的總能量計算還表明.;在溶液中;堿金屬水合離子與冠醚配位將形成穩(wěn)定的水合物
Semiempirical CNDO Investigations of H,F and CI Chemisorbed on Si (111)
H、F、Cl/Si(111)化學吸附的半經(jīng)驗CNDO法研究
Keywords CNDO method;quantumchemistry;xanthate;copper sulphide;copper oxide;
CNDO法;量子化學;黃藥;硫化銅礦物;氧化銅礦物;
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(jié)構(gòu)的CNDO研究
Keywords angiotensin I-converting enzyme inhibitory peptide;enzymolysis;structure information;Complete Neglect of Differential Overlap（CNDO）;
血管緊張素轉(zhuǎn)化酶抑制肽;酶解;結(jié)構(gòu)信息;全略微分重疊計算;