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化学计算
1、calculation machine───计算机
2、rough calculation───粗略计算；[会计]概算；[计] 概算; [经] 概算
3、calculation process───计算流程
4、chemical equation───化学反应式；化学方程式
5、eps calculation───每股收益计算
6、chemical───n.化学制品，化学药品；adj.化学的
7、chemical formula───[化学]化学式
8、calculation───n.计算；估计；计算的结果；深思熟虑
9、allegation calculation───指控计算
1、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。
2、On the basis of quantum chemical calculation, the bond order, length and other structure parameters are further analyzed.───在量子化学计算基础上，进一步对其键级、键长等结构参数进行了分析。
3、Quantum Chemical Calculation on Structure and Potential Energy Curve for the Ground State of Molecule LaH───LaH分子结构和基态势能曲线的量子化学计算
4、Syntheses, Biological Activity and Quantum Chemical Calculation of Aromatic Urea Derivatives───芳基脲类衍生物的合成、活性和量子化学计算
5、Directly using figures produced from chemical calculation workstation without scanning in editing procedure of sci-tech periodicals───不经扫描直接利用化学计算工作站中科技插图的方法
6、The quantum chemical calculation verifies the validity of the above conclusion.───量子化学的计算证明了上述结论的正确性。
7、Synthesis, Crystal Structure and Quantum Chemical Calculation of Benzimidazole Derivatives───苯并咪唑衍生物的合成、晶体结构及量子化学计算
8、The absorption spectrum by using CIS method of quantum chemical calculation agrees with the experimental spectrum.───由量化计算中的CIS方法所获得的吸收谱理论值与实验值吻合较好。
9、The experimental results in this work were explained by the data of the quantum chemical calculation.───通过量子化学计算结果对本文实验观测结果进行了解释。
1、Quantum chemical calculation has been carried out to calculate structural optimization, IR spectra, NMR spectra of three-ring compounds which have been synthesized by our research group.
2、The electronic structure of Pd - Y - Si glass has been investigated by ESCA andquantum chemical calculation.
3、The progress direction of the carbocyanine molecular quantum chemical calculation is summed up.
4、The surface oxidation of galena and the micro-process of electron transfer involved in the oxidation have been stu died through voltammetry and quantum chemical calculation.
5、In this paper AM1 semiempirical quantum chemical calculation was used to study the motion of phenyl rings in PEEK chains.