一些移位基的几何和能量特性的量子化学研究

K. Alisher, Toshov S. Khamza, Yuldashev Sh. Ikbol
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引用次数: 8

摘要

现代化学最重要的方面在于,与仪器(物理)方法一起,计算机模拟在其中起着越来越大的作用。分子模拟在化学中的作用是相当大的,尽管在这个自然科学领域的实验研究显然是优先的。最重要的是那些不可能、极其困难或过于昂贵而无法通过实验手段获得的理论结果。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Quantum-chemical study of geometric and energy characteristics of some bases of shiff gossipol
The most important aspect of modern chemistry lies in the fact that along with instrumental (physical) methods, computer modelling plays an increasing role in it. The role of molecular modelling in chemistry is quite large, despite the obvious priority of experimental research in this field of natural science. The most significant ones are theoretical results that are impossible, extremely difficult or too expensive to be obtained by experimental means.
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