?stoichiometry

stoichiometry發(fā)音

英：[?st??k?'?m?tr?]　　美：[?st??k?'?m?tr?]

英：　　美：

stoichiometry中文意思翻譯

n.化學(xué)計算法,化學(xué)計量法

stoichiometry詞形變化

形容詞: stoichiometric | 副詞: stoichiometrically |

stoichiometry常見(jiàn)例句

1 、Keywords lithium niobate;stoichiometry;flux pulling method;absorption spectrum;───鈮酸鋰晶體;化學(xué)計量比;助熔劑提拉法;吸收光譜;

2 、However, the material undergoes large departures from stoichiometry at elevated temperatures in a reducing atomsphere with accompanying electronic conductivity.───但是,在高溫還原氣氛下,這種材料的化學(xué)計量比將發(fā)生較大偏移,并伴隨有電子電導。

3 、It is also shown that when the hydrogen stoichiometry is over 1.2, fast changes of the hydrogen flow rate does no influence on the fuel cell system performance.───同時(shí)發(fā)現當氫氣化學(xué)劑量超過(guò)1.2時(shí)，快速的改變氫氣流量，對燃料電池系統的電壓及電流并不造成影響。

4 、From the results it is evident that the relative stoichiometry of the reaction partners indeed plays a crucial role in the formation of 7 (entries 2-5 );───顯然,從成績(jì)的相對計量反應確實(shí)起到了關(guān)鍵性的作用伙伴形成7(作品2-5);

5 、The thermal transfer characteristics in growth system and stoichiometry in melt and crystal must be investigated further in order to grow high quality crystals with larger diameter.───欲生長(cháng)大直徑、高質(zhì)量單晶，仍須對熱傳輸和化學(xué)計量等問(wèn)題進(jìn)行深入研究。

6 、Influence of Stoichiometry and Heat Treatment Conditions on the Magnetic Properties of Ba-ferrite Powder───化學(xué)計量比和熱處理條件對鋇鐵氧體磁性能的影響

7 、Effect of Stoichiometry on Electrode Characteristics of Hydrogen Storage Alloy───化學(xué)計量比對貯氫合金電極特性的影響

8 、Results of many experiments have indicated that the stoichiometry and assembly of CNG channels affect their property and gating.───研究表明, CNG通道的組成及組裝影響通道的特性及門(mén)控。

9 、Stoichiometry tells us the useful way to help measure the conversion and conservation of matter taking part in a chemical reaction.───化學(xué)計量學(xué)給我們指出了有用的方法，幫助我們確定在化學(xué)反應中發(fā)生的物質(zhì)轉換和守恒。

10 、melt stoichiometry───n. 熔體計量

11 、ecological stoichiometry───生態(tài)化學(xué)計量學(xué)

12 、Keywords B/Pb3O4;Stoichiometry;Pyrotechnic compound;Combustion performance;───硼/鉛丹;化學(xué)計量;燃燒性能;

13 、A compound has stoichiometry and ion distribution opposite to that in one of the structures just mentioned───化合物的計量關(guān)系及其離子分布和剛才提到的結構恰好相反。

14 、small deviation from stoichiometry───小量偏離正分

15 、Application of the continuous variation method for determining stoichiometry and binding mechanism to Fe-Fz systems has been treated.───本文應用連續變化法研究它們之間的相互作用。

16 、There are some defects that leave the stoichiometry unaffected───有些缺陷并不影響化學(xué)計量。

17 、The mechanisms for preservation of the correct stoichiometry in the film is also discussed.───同時(shí),對準分子激光制膜保成份蒸鍍這一獨特優(yōu)點(diǎn)的機制進(jìn)行了深入的討論。

18 、Keywords lithium niobate;crystal growth;stoichiometry;laser crystal;───鈮酸鋰晶體;晶體生長(cháng);化學(xué)計量比;激光晶體;

19 、The film resistivity was obtained by four point probe.Rutherford backscattering spectrometry (RBS) was utilized to examine the stoichiometry and density of the HfNx films.───濺鍍氮化鉿薄膜時(shí)，隨基板負偏壓增大，薄膜電阻率會(huì )降低，但是，隨氮氣流量比例增大時(shí)，薄膜電阻率會(huì )增大；

20 、electronic stoichiometry───厭氧氨氧化

21 、Rutherford backscattering spectrometry (RBS) was utilized to examine the stoichiometry and density of the HfNx films.───拉塞福背向散射分析儀對薄膜進(jìn)行組成成份及密度鑑定；

22 、The main factors that influence the quality of PZT piezoelectric ceramics include aggregation of powders, stoichiometry and aging etc.───影響PZT壓電陶瓷質(zhì)量的主要因素有粉體團聚、化學(xué)計量及老化等。

23 、This equation must be couled with the mole balance, rate law and stoichiometry and solved numerically.───它與摩爾衡算式、速率定律、化學(xué)計量關(guān)系結合,可以數值解算分批式反應釜。

24 、Keywords hydrogen storage alloys;metal hydride electrode;rare earth metal;electrochemical poperties;stoichiometry;───貯氫合金;金屬氫化物電極;稀有金屬;電化學(xué)性能;化學(xué)計量比;

25 、ESI-MS offers some advantages in speed, sensitivity, specifity, and directness particularly in the determination of the molecular weight and stoichiometry of the complex.───ESI-MS除了具有快速、靈敏、專(zhuān)屬的特點(diǎn)以外，還有能夠直接得出復合物的分子量和化學(xué)計量比的優(yōu)點(diǎn)。

26 、The degree of substitution of polymer doped by bromine or iodine can be controlled by reaction time, while that of chloromethylation PS controlled by the stoichiometry.───聚合物取代量可由反應時(shí)間和反應物化學(xué)計量控制。

27 、Enhancement of the research on functional gene, transcription, proteomics, metabolomics, metabolic engineering and stoichiometry that the metabolic analysis become potential.───今后還要加強合理用藥方面的研究以及對中藥安全性的研究和監測，加強對藥物警戒的研究和宣傳；

28 、chemical stoichiometry───化學(xué)計量學(xué)

29 、The specific surface area of RF and CRF aerogel was mainly determined by the stoichiometry of reatants and R/C ratio, an...───喇曼光譜測試結果表明碳氣凝膠顆粒內部存在有微晶化結構；

30 、Keywords lithium niobate;crystal growth;stoichiometry;───鈮酸鋰;晶體生長(cháng);化學(xué)計量比;

31 、Keywords Ni3Al;R effect;brittleness of and ductility;microalloy elements;stoichiometry;or-dering energy;───現象;脆性與塑性;微量元素;化學(xué)計量;有序能;

32 、The ratio of air to fuel for which perfect combustion takes place is called stoichiometry───實(shí)現完全燃燒時(shí)的空氣和燃燒的比率稱(chēng)為化學(xué)當量比。

33 、Experiment results show that all these complexes are four coordinated stoichiometry including five-membered heterocyclic rings.───對配體及其配合物進(jìn)行了元素分析、紅外光譜和核磁共振光譜等手段的結構表征，結果表明配體與金屬離子之間形成了含一個(gè)五元環(huán)和一個(gè)六元環(huán)的四配位的中性配合物。

34 、time-independent stoichiometry───非時(shí)間依賴(lài)化學(xué)計量法

35 、Various Melt Stoichiometry Conditions Related Defects in InP Materials───不同熔體配比InP材料中的缺陷研究

36 、Keywords copper-indium-sulfur thin film;ion layer gas reaction;stoichiometry;───銅銦硫薄膜;浸漬離子層氣相反應;化學(xué)計量;

37 、THE DETERMINATION OF STOICHIOMETRY OF Y-Ba-Cu-O SUPERCONDUCTORS BY RUTHERFORD BACKSCATTERING AND NUCLEAR REACTION───用盧瑟福背散射和核反應技術(shù)測定Y-Ba-Cu-O超導體的元素配比

38 、leaf N and P stoichiometry───葉片N和P化學(xué)計量學(xué)

39 、The stoichiometry of the material cannot be readily adjusted as is the case with VPE───材料的化學(xué)比不象VPE法一樣容易進(jìn)行調節。

40 、First, only Western blots were used, and the percentage of RyR2 phosphorylation or stoichiometry of the PO4/RyR subunit was not quantified.───首先，這里只應用了蛋白質(zhì)斑跡法，RyR2**酸化的比例及PO4/RyR亞基的化學(xué)計量比沒(méi)有定量。

41 、Describe the stoichiometry, chemistry of combustion, balances of mass and energy in combustion.───說(shuō)明燃燒之計量化學(xué)與質(zhì)能平衡之概念.

42 、A near infrared spectrometry used for determining water content of tris-[1-(2-methyl)aziridinyl]phosphine oxide(MAPO) was investigated by means of standard addition method and multiple stoichiometry.───應用標準加入法及多種化學(xué)計量學(xué)方法研究了三-1-(2-甲基氮丙啶)氧化膦(MAPO)中水分含量的近紅外光譜測定方法。

43 、GROWTH, NUTRIENT UPTAKE AND STOICHIOMETRY IN SUSPENSION CULTURE OF RHODIOLA SACHALINENSIS A. BOR───高山紅景天細胞懸浮培養生長(cháng)和營(yíng)養成分攝取動(dòng)力學(xué)及其計量關(guān)系

44 、Effects of Nitrogen and Phosphorus Additions on Nutrients and N: P Stoichiometry in Dwarf Lilyturf Roots───氮**添加對麥冬根部養分濃度及其化學(xué)計量比的影響

45 、Keywords lithium tantalate crystal;stoichiometry;flux pulling method;absorption spectrum;Curie temperature;───鉭酸鋰晶體;化學(xué)計量比;助熔劑提拉法;吸收光譜;居里溫度;

46 、Undoubtedly many different reactions contributed to the overall stoichiometry of photosynthesis───無(wú)疑，這種光合作用的總的化學(xué)計量學(xué)中，包含有許多不同的反應。

47 、Stoichiometry in SI-GaAs Bulk Materials by Triple Axis Mode X-Ray Diffraction Measurements───X射線(xiàn)三軸晶衍射法測量半絕緣GaAs單晶的化學(xué)配比

48 、See also Avogadro's law, law of mass action, stoichiometry.───亦請參閱Avogadro's law、mass action, law of、stoichiometry。

49 、stoichiometry model───化學(xué)計量學(xué)模型

50 、In this paper a simultaneous determination of multicomponent metal ions has been invertagated by stoichiometry.───用化學(xué)計量同時(shí)測定了二、三和四元金屬離子混合物。

51 、Investigation of the Stoichiometry of Bismuth Tellurite Bi_2TeO_5 Single Crystals───亞碲酸鉍Bi_2TeO_5單晶的化學(xué)計量比的研究

52 、Thus, the optimal outcome of the reaction can be fully controlled by careful observation of the correct stoichiometry of the reaction partners and the correct reaction conditions (vide infra).───因此,最佳結果的反應,可以充分控制詳查正確計量的反應合作伙伴和正確的反應條件(請看紅外線(xiàn)).

53 、Keywords lithium niobate;stoichiometry;crystal growth;───鈮酸鋰晶體;化學(xué)計量比;晶體生長(cháng);

54 、Keywords PyTS/MV 2+ complex;stoichiometry;transient absorption spectrum;dynamic schemes;───復合物;組成成分;瞬態(tài)吸收光譜;動(dòng)力學(xué)過(guò)程;

55 、Keywords lithium tantalite crystal;stoichiometry;top-seed solution growth;pulling method;absorption spectrum;───鉭酸鋰晶體;化學(xué)計量比;頂部籽晶溶液生長(cháng);提拉法;吸收光譜;

56 、Keywords TiC;carbon sources;loading density;stoichiometry;───碳源;裝填密度;反應計量比;

57 、I'll save you the stoichiometry, but, basically, the whole room's gonna go up in flames.─── 化學(xué)計量學(xué)估計你們也不懂 基本就是 整個(gè)房間都會(huì )陷入火海

58 、Keywords glycogen-accumulating organisms;enhanced biological phosphorus removal;stoichiometry;kinetics;───聚糖菌;強化生物除**;化學(xué)計量學(xué);動(dòng)力學(xué);

59 、A considerable amount of effort has been made into forcing lead dioxide to conform to exact stoichiometry.───相當多的努力一直被花費在強制性地把二氧化鉛轉變?yōu)榛瘜W(xué)計量意義上準確的Pb2O上。

60 、Stoichiometry: Determination of the proportions (by weight or number of molecules) in which elements or compounds react with one another.───化學(xué)計量學(xué):確定化學(xué)元素或化合物彼此反應的比例關(guān)系(用重量或分子數表示)。

61 、industrial stoichiometry───工業(yè)化學(xué)計算

62 、Modern analysis determination techniques, such as spectrum method and chromatography, combined with stoichiometry had provided a series of new methods for researching residue composition.───現代分析測試技術(shù)，如光譜學(xué)、色譜學(xué)等與化學(xué)計量學(xué)相結合，為渣油組成含量的研究提供了一些新方法；

63 、time-dependent stoichiometry───時(shí)間依賴(lài)化學(xué)計量法

64 、The stoichiometry method is crisp in chromatograph peak examination───化學(xué)計量學(xué)方法在色譜峰檢測中的應用

65 、This equation must be couled with the mole balance rate law and stoichiometry and solved numerically.───它與摩爾衡算式、速率定律、化學(xué)計量關(guān)系結合，可以數值解算分批式反應釜。

66 、Stoichiometry and Kinetics of Glycogen-accumulating Organisms in Enhanced Biological Phosphorus Removal System───聚糖菌的化學(xué)計量學(xué)與動(dòng)力學(xué)的研究

67 、In gravimetry, an analyzer (in most cases ionic) is precipitated in the form of an insoluble compound of defined stoichiometry.───在重量法中，分析物(通常是離子)以確定的化學(xué)計量配比的不溶化合物沉淀，

68 、There are some defects that leave the stoichiometry unaffected.───有一些缺陷是離開(kāi)了化學(xué)計量關(guān)系造成的。

69 、Leaf N: P stoichiometry and nutrient resorption efficiency of Ophiopogon japonicus in Nanchang City───城市地被植物麥冬葉片氮**化學(xué)計量比和養分再吸收效率

如何閱讀高斯的計算輸出文件

如何閱讀高斯的計算輸出文件

高斯輸出文件的關(guān)鍵是看Link,每個(gè)Link對應不同的部分,以單點(diǎn)計算為例:單點(diǎn)計算的流程。

輸入行在#后加入P,不然的話(huà)就只會(huì )顯示Link 1和0,輸出文件一般很長(cháng)。對于單點(diǎn)計算，只有300多行。

第一部分：

基本運行信息

輸入輸出文件名，初始命令

進(jìn)入Link 1，顯示進(jìn)程號

首先是版權說(shuō)明,

然后是作者,利用guassian計算所發(fā)的文章，參考文獻上必須列的

進(jìn)入

Link 101

讀入輸入文件，

將控制命令轉化為程序能夠看得懂的IOP占位段的選項和應用設置

Leave Link 101

進(jìn)入

Link 202：

判斷體系對稱(chēng)性，并決定實(shí)際計算中對稱(chēng)性應該如何利用

判斷體系點(diǎn)群

例如

Stoichiometry CH2O

Framework group C2V[C2(CO),SGV(H2)]

Deg. of freedom 3

Full point group C2V NOp 4

如何閱讀高斯的計算輸出文件

如何閱讀高斯的計算輸出文件

高斯輸出文件的關(guān)鍵是看Link,每個(gè)Link對應不同的部分,以單點(diǎn)計算為例:單點(diǎn)計算的流程。

輸入行在#后加入P,不然的話(huà)就只會(huì )顯示Link 1和0,輸出文件一般很長(cháng)。對于單點(diǎn)計算，只有300多行。

第一部分：

基本運行信息

輸入輸出文件名，初始命令

進(jìn)入Link 1，顯示進(jìn)程號

首先是版權說(shuō)明,

然后是作者,利用guassian計算所發(fā)的文章，參考文獻上必須列的

進(jìn)入

Link 101

讀入輸入文件，

將控制命令轉化為程序能夠看得懂的IOP占位段的選項和應用設置

Leave Link 101

進(jìn)入

Link 202：

判斷體系對稱(chēng)性，并決定實(shí)際計算中對稱(chēng)性應該如何利用

判斷體系點(diǎn)群

例如

Stoichiometry CH2O

Framework group C2V[C2(CO),SGV(H2)]

Deg. of freedom 3

Full point group C2V NOp 4

Largest Abelian subgroup C2V NOp 4

Largest concise Abelian subgroup C2 NOp 2

再將輸入的分子坐標轉換為標準內坐標, 就是

Standard orientation:

這是程序默認，充分利用分子的對稱(chēng)性來(lái)達到方便計算的目的。就是將體系的質(zhì)量中心放在坐標軸的主軸或者原點(diǎn)上?？梢杂胣osym來(lái)禁止這個(gè)操作

Leave Link 202

進(jìn)入

Link 301 產(chǎn)生基組信息

基組函數對稱(chēng)性

計算出核排斥能

Leave Link 301

進(jìn)入

Link 302，303 ,這部分是計算積分的具體算法,一般不會(huì )列出詳細過(guò)程,一句話(huà)帶過(guò)

leave Link302,303

進(jìn)入

Link 401 在實(shí)際計算之前，必須有初始猜測，這部分的功能就是產(chǎn)生初始猜測，可以從chk文件讀入，也可以程序自動(dòng)產(chǎn)生。這部分可以用guess關(guān)鍵字來(lái)指定。

我這個(gè)體系,程序默認是:

Projected INDO Guess(請仔細看手冊,不同的體系Guess是不一樣的)

Leave Link 401

進(jìn)入

Link 502 （主角登場(chǎng)?。┳郧〉蠼釹CF方程

設定收斂標準：

除了對包含比Ar重的原子的分子全電子（非ECP）計算外，積分只計算到10-6的精度。l

SCF計算的能量和電子密度都收斂到10-4，或只有能量收斂到10-5為止，無(wú)論哪一個(gè)先達到。l

給出每一步迭代的信息（？）(這只有在程序輸入中加入#p才會(huì )顯示)

如果成功計算完畢

SCF Done,接下來(lái)就是打印計算出來(lái)的能量,自旋,維力值和收斂判據了.

Leave Link502(一般計算經(jīng)常會(huì )在這一步掛掉,哈哈)

如果你的單點(diǎn)計算只寫(xiě)了這些,輸出結束,如果你加入了population的內容,那么,基于scf計算的結果,布局分析開(kāi)始

進(jìn)入Link601

Link 601 利用優(yōu)化后的波函數，

進(jìn)行Mulliken population,得到

軌道對稱(chēng)性

電子態(tài)

各個(gè)軌道的本征值

然后是一些電荷,自旋密度的分析

leav Link601

最后是整個(gè)計算結果的一個(gè)總結,各小節之間用\分開(kāi)

單點(diǎn)計算看明白之后看幾何優(yōu)化的就比較清楚了