Study on the quantum chemical calculations is performed by means of MNDO method on VAX8350 computer for rubescensine A and its acetylate derivative.
本文用MNDO方法在VAX8350计算机上对冬凌草甲素及其乙酰衍生物进行了量子化学计算研究。
In this paper AM1 semiempirical quantum chemical calculation was used to study the motion of phenyl rings in PEEK chains.
本文使用AM 1半经验量子化学计算研究了苯环在PEEK链内的运动。
To study the reaction mechanism of CVD (chemical vapor deposition) reaction system, quantum chemistry methods are proved highly potential.
量子化学方法在研究化学气相沉积反应体系的反应机理、动力学计算方面有很大的潜力。
Thus, electrochemical and quantum chemical methods were applied to deeply study phosphorus generation mechanism and influencing factors in this paper.
本文采用电化学及量子化学手段，对化学镀镍磷过程中磷的析出机理及影响因素进行了深入的探讨。
The results of research on quantum chemical study for corrosion inhibitors were reviewed.
本文概述了缓蚀剂量子化学研究方面的成果。
Usually quantum chemical calculation is an important way to get structural parameters of specific molecules in study of the structure-activity relationship of organic pollutants.
在有机污染物的结构活性关系研究中，量子化学计算是获得分子结构参数的重要途径。
In this paper, the meaning of empty states ratio has been discussed. It is useful for the study of chemical potential and low-temperature character of quantum ideal gas.
本文讨论空态比的意义。应用空态比讨论量子理想气体的化学势和低温时的行为。
The book is the output of the NATO Advanced Study Institute on Optical Chemical Sensors and is the 40th Course of the International School of Quantum Electronics.
在视觉的化学制品传感器上推进研究所，书是北约的产量，是量电子的国际学校的第40门课程。
The book is the output of the NATO Advanced Study Institute on Optical Chemical Sensors and is the 40th Course of the International School of Quantum Electronics.
在视觉的化学制品传感器上推进研究所，书是北约的产量，是量电子的国际学校的第40门课程。
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