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- The reaction mechanism of BrO with CH3SH has been investigated by density function theory (DFT) and electronic density topological analysis method. 利用密度泛函和電子密度拓撲分析方法對BrO與CH3SH反應的微觀(guān)機理進(jìn)行了理論研究.
- From 1821 on, he singlehandedly developed complex function theory. 自1821年以后,他單獨地發(fā)展了復函數理論。
- Computational investigation for HIO3 isomers by density function theory[J]. 引用該論文 劉穎;劉文清;李海洋;程爽.
- Density Functional Theory, Cytosine, Tautomerism. 密度泛函理論;胞嘧啶;
- The development of complex function theory proceeded apace in the latter part of the nineteenth century. 十九世紀后期，復函數的理論迅速地發(fā)展。
- An Analysis of Chinese Insurance Products Consumption Using the Consumption Function Theory in Macroeconomics. 試用消費函數理論分析我國的保險產(chǎn)品消費。
- Based on the complex function theory,the stress field was achieved by affine transformation. 文中的應力場(chǎng)是借助于仿射變換的方法通過(guò)復變應力函數得到的。
- The second part introduces functionalist theory of translation. 第二部分介紹了德國的功能翻譯理論。
- Tell me more about how CASTEP uses density functional theory. 關(guān)于CASTEP怎么使用密度告訴我更多功能的理論。
- Since Keynes had proposed the hypothesis of absolute income, the consumption function theory is getting constant development. 凱恩斯提出絕對收入假說(shuō)后,消費函數理論不斷得到發(fā)展。
- Since Keynes had proposed the hypothesis of absolute income,the consumption function theory is getting constant development. 凱恩斯提出絕對收入假說(shuō)后,消費函數理論不斷得到發(fā)展。
- Epoxidation mechanism of (1, 3)-butadiene over silver surface was studied by dipped adcluster model (DAM) combined with B3LYP density function theory. 摘要采用B3LYP密度泛函方法和DAM模型對(1,3)-丁二烯環(huán)氧化機理進(jìn)行了研究。
- In the framework of effective mass envelope function theory, the electronic states of the InAs/GaAs quantum ring are studied. 摘要在有效質(zhì)量包絡(luò )函數理論的框架下，研究了銦砷／鎵砷量子環(huán)的電子態(tài)。
- In this paper we discuss Green function theory, and derive the current formula for interacting systems using the Green function theory. Some general results are also discussed. 摘要簡(jiǎn)單討論了非平衡格林函數理論，并利用非平衡格林函數理論推導了電子相互作用體系的電流公式，獲得了一些一般性的結果。
- In this paper, the conformal transforms and potential function theory are applied to derive productivity, specific productivity index of a horizontal well. 本文是應用保角變換方法和勢函數理論推導出底水驅油藏水平井產(chǎn)能公式、比采油指數公式。
- The Density Function Theory(DFT)method are employed to study the geometries of the cyanic acid and isocyanic acid on the base of B3LYP/6-31+G(d)in the paper. 本文主要采用密度泛函理論(DFT)方法,在B3LYP/6-31+G(d)基礎上,通過(guò)優(yōu)化氰酸、異氰酸的結構,分別得到的能量為-168。
- Electronic structure, chemical bond and net charges of Ca_3Co_4O_9 system are studied by density function theory and discrete variation method (DFT-DVM). Ca_3Co_4O_9體系的計算是采用離散變分法對其電子結構、化學(xué)鍵和電荷分布等進(jìn)行計算。
- The CDG is a small group of UK academics working in the field of density functional theory and electronic structure calculations. CDG是在密度的地里工作的英國學(xué)者的一個(gè)小組功能的理論和電子結構計算。
- In this thesis, the structures and properties of DMB were investigated by the density functional theory (DFT) methods. 借助量子化學(xué)中的密度泛函理論(DFT)方法,對2,2-二羥甲基丁醛的結構與性能進(jìn)行了理論研究,探討了其結構與性能之間的關(guān)系。
- A constant, variable, function name, or expression. 一種常數、變量、函數名或表達式。
