Mindo

The MINDO / 3 method has been used to study the thermal rearrangements of OCRCR'CO.

用MINDO/3方法研究OCRCR'CO的热重排反应，给出了反应的活化能和内禀反应坐标途径。

Maximum overlap symmetry molecular orbital calculation under mindo / 3 approximation

MINDO/3级别上的最大重迭对称性分子轨道

Mindo : Never underestimate any living spirits will to survive especially when they 're surrounded by family .

永远不要低估任何生物的求生意志，尤其当它们有家人相伴的时候。

The mindo / 3 study on the diuretic triazine derivatives

利尿剂三嗪衍生物的MINDO／3研究

THEORETICAL CALCULATION OF THE CONDENSATION MECHANISM OF FORMALDEHYDE WITH ISOBUTENE BY MINDO / 2 METHOD Quantum chemistry is applied to the study of condensation mechanism of the reaction between propionate acid and polyethylene polyamine .

甲醛和异丁烯的缩合反应机理&MINDO/2理论计算用量子化学方法研究了丙酸与多乙烯多胺缩合反应机理。

The equilibrium geometry is obtained by optimization using MINDO / 3 energy gradient method . Calculated heat of formation ( - 363.34kJ / mol ) agrees fairly well with the result of experiment ( - 370.82kJ / mol ) .

用能量梯度全优化计算获得NG的平衡几何构型，其生成热（-363.34kJ/mol）与实验值（-370.82kJ/mol）相一致。

The diuretic triazine derivatives have been studied using the Semiempirical Molecular Orbital method MINDO / 3 , the relationship of active index of diuresis and molecular reactive + index and interaction between acceptors and diuretic molecule have been analysed .

本文用半径经验分子轨道法MINDO／3对利尿剂三嗪衍生物进行了研究，对药物的利尿活性指数和分子反应指标作了相关分析，并对药物分子和受体之间的相互作用进行了简要分析。