am quantum chemical method am1量子化学方法
pm quantum chemical method pm3量子化学方法
PM3 quantum chemical method PM3量子化学方法
semiempirical quantum chemical method 半经验量子化学方法
am 1 quantum chemical method am量子化学方法
pm 3 quantum chemical method pm量子化学方法
ab initio quantum-chemical method 量子化学从头算
quantum chemical am method 量子化学am1方法
quantum chemical calculation method 量子化学计算方法
The electronic structures of 10 kinds of D-form and L-form amino acids have been investigated by employing AM1 semiempirical quantum chemical method firstly.
首次采用AM1半经验量子化学计算方法研究了10种D型和L型氨基酸的电子结构。
The second-order NLO properties of a series of tri-nuclear transition metal clusters with incomplete cubane-like structures were studied by using the first-principle quantum chemical method.
研究了具有欠完整立方烷构型的过渡金属原子簇分子的二阶非线性光学性质。
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。
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