| 释义 |
mndoBNC¹⁷³⁹⁹⁵⁺²
基本例句
🌏忽略双原子微分重叠；半经验
The structure of the enol form of acetylacetoneAcAchas been calculated using the MNDO molecular orbital theory.
应用较为精确的半经验近似 MNDO方法对乙酰丙酮分子结构进行了计算。 cnki
On the basis of calculation of quantum chemistry MNDO the anion- radical structure of butadiene lithium and its coupling mechanism were proposed.
利用量子化学计算讨论和分析了丁二烯负离子自由基的结构及偶合方式。 cnki
The asymmetric reduction of ketosulfone with borane catalyzed by oxazaborolidine is computed by means of the semi- empirical MNDO method.
对恶唑硼烷催化前手性酮砜不对称还原反应进行了半经验 MNDO研究。 dictall
The complete force fields of the cis and trans isomers are determined by the method of determining force field combining model potential function method with MNDO method.
将模型势函法和 MNDO方法结合起来，得到了顺、反甲酸分子的完整力场。 cnki
The MNDO semiempirical quantum chemistry method was used to study the conformation of diphenyl sulfide and diphenyl sulfoxide.
本文使用 MNDO半经验量子化学方法对二苯硫醚和二苯亚砜的构象进行研究。 chemyq
Theoretical calculations on the tautomerization of five tetrazole derivatives are performed with MNDO MO method.
运用 MNDO MO法对五种四唑衍生物的互变异构反应进行了理论计算。 dictall.com
Using quantum mechanics MNDO program and molecular mechanics MMP2 program, we determined some unknown molecular mechanical parameters in sulfonamide compounds.
应用量子化学 MNDO程序及分子力学 MMP2程序，确定了一些未知磺酰胺类常咯啉的分子力学参数。 chemyq
MNDO calculations and group theory were carried out on tetraphenyl porphyrinTPP to obtain its optimum molecular geometry.
运用MNDO计算和群论，优化得到了较满意的中位取代四苯基卟啉 H2TPP的分子构型。 ilib |