?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(jì)算法,化學(xué)計(jì)量法

stoichiometry詞形變化

形容詞: stoichiometric | 副詞: stoichiometrically |

stoichiometry常見例句

1 、Keywords lithium niobate;stoichiometry;flux pulling method;absorption spectrum;───鈮酸鋰晶體;化學(xué)計(jì)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(jì)量比將發(fā)生較大偏移,并伴隨有電子電導(dǎo)。

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(xiàn)當(dāng)氫氣化學(xué)劑量超過1.2時(shí)，快速的改變氫氣流量，對(duì)燃料電池系統(tǒng)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(jī)的相對(duì)計(jì)量反應(yīng)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(zhǎng)大直徑、高質(zhì)量單晶，仍須對(duì)熱傳輸和化學(xué)計(jì)量等問題進(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(jì)量比和熱處理?xiàng)l件對(duì)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(jì)量比對(duì)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(jì)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(yīng)中發(fā)生的物質(zhì)轉(zhuǎn)換和守恒。

10 、melt stoichiometry───n. 熔體計(jì)量

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

12 、Keywords B/Pb3O4;Stoichiometry;Pyrotechnic compound;Combustion performance;───硼/鉛丹;化學(xué)計(jì)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(jì)量關(guān)系及其離子分布和剛才提到的結(jié)構(gòu)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(yīng)用連續(xù)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(jì)量。

17 、The mechanisms for preservation of the correct stoichiometry in the film is also discussed.───同時(shí),對(duì)準(zhǔn)分子激光制膜保成份蒸鍍這一獨(dú)特優(yōu)點(diǎn)的機(jī)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(zhǎng);化學(xué)計(jì)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(fù)偏壓增大，薄膜電阻率會(huì)降低，但是，隨氮?dú)饬髁勘壤龃髸r(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(duì)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(tuán)聚、化學(xué)計(jì)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(jì)量關(guān)系結(jié)合,可以數(shù)值解算分批式反應(yīng)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(jì)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、專屬的特點(diǎn)以外，還有能夠直接得出復(fù)合物的分子量和化學(xué)計(jì)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(yīng)時(shí)間和反應(yīng)物化學(xué)計(jì)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(qiáng)合理用藥方面的研究以及對(duì)中藥安全性的研究和監(jiān)測(cè)，加強(qiáng)對(duì)藥物警戒的研究和宣傳；

28 、chemical stoichiometry───化學(xué)計(jì)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(cè)試結(jié)果表明碳?xì)饽z顆粒內(nèi)部存在有微晶化結(jié)構(gòu)；

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

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

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

33 、Experiment results show that all these complexes are four coordinated stoichiometry including five-membered heterocyclic rings.───對(duì)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(jié)構(gòu)表征，結(jié)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)間依賴化學(xué)計(jì)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(yīng);化學(xué)計(jì)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(yīng)技術(shù)測(cè)定Y-Ba-Cu-O超導(dǎo)體的元素配比

38 、leaf N and P stoichiometry───葉片N和P化學(xué)計(jì)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(diào)節(jié)。

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(yīng)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(jì)量比沒有定量。

41 、Describe the stoichiometry, chemistry of combustion, balances of mass and energy in combustion.───說明燃燒之計(jì)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(yīng)用標(biāo)準(zhǔn)加入法及多種化學(xué)計(jì)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(cè)定方法。

43 、GROWTH, NUTRIENT UPTAKE AND STOICHIOMETRY IN SUSPENSION CULTURE OF RHODIOLA SACHALINENSIS A. BOR───高山紅景天細(xì)胞懸浮培養(yǎng)生長(zhǎng)和營養(yǎng)成分?jǐn)z取動(dòng)力學(xué)及其計(jì)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(duì)麥冬根部養(yǎng)分濃度及其化學(xué)計(jì)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(jì)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───無疑，這種光合作用的總的化學(xué)計(jì)量學(xué)中，包含有許多不同的反應(yīng)。

47 、Stoichiometry in SI-GaAs Bulk Materials by Triple Axis Mode X-Ray Diffraction Measurements───X射線三軸晶衍射法測(cè)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(qǐng)參閱Avogadro's law、mass action, law of、stoichiometry。

49 、stoichiometry model───化學(xué)計(jì)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(jì)量同時(shí)測(cè)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(jì)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(jié)果的反應(yīng),可以充分控制詳查正確計(jì)量的反應(yīng)合作伙伴和正確的反應(yīng)條件(請(qǐng)看紅外線).

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

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

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

56 、Keywords TiC;carbon sources;loading density;stoichiometry;───碳源;裝填密度;反應(yīng)計(jì)量比;

57 、I'll save you the stoichiometry, but, basically, the whole room's gonna go up in flames.─── 化學(xué)計(jì)量學(xué)估計(jì)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(qiáng)化生物除**;化學(xué)計(jì)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(dāng)多的努力一直被花費(fèi)在強(qiáng)制性地把二氧化鉛轉(zhuǎn)變?yōu)榛瘜W(xué)計(jì)量意義上準(zhǔn)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(jì)量學(xué):確定化學(xué)元素或化合物彼此反應(yīng)的比例關(guān)系(用重量或分子數(shù)表示)。

61 、industrial stoichiometry───工業(yè)化學(xué)計(jì)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(xiàn)代分析測(cè)試技術(shù)，如光譜學(xué)、色譜學(xué)等與化學(xué)計(jì)量學(xué)相結(jié)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)間依賴化學(xué)計(jì)量法

64 、The stoichiometry method is crisp in chromatograph peak examination───化學(xué)計(jì)量學(xué)方法在色譜峰檢測(cè)中的應(yīng)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(jì)量關(guān)系結(jié)合，可以數(shù)值解算分批式反應(yīng)釜。

66 、Stoichiometry and Kinetics of Glycogen-accumulating Organisms in Enhanced Biological Phosphorus Removal System───聚糖菌的化學(xué)計(jì)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(jì)量配比的不溶化合物沉淀，

68 、There are some defects that leave the stoichiometry unaffected.───有一些缺陷是離開了化學(xué)計(jì)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(jì)量比和養(yǎng)分再吸收效率

如何閱讀高斯的計(jì)算輸出文件

如何閱讀高斯的計(jì)算輸出文件

高斯輸出文件的關(guān)鍵是看Link,每個(gè)Link對(duì)應(yīng)不同的部分,以單點(diǎn)計(jì)算為例:單點(diǎn)計(jì)算的流程。

輸入行在#后加入P,不然的話就只會(huì)顯示Link 1和0,輸出文件一般很長(zhǎng)。對(duì)于單點(diǎn)計(jì)算，只有300多行。

第一部分：

基本運(yùn)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(hào)

首先是版權(quán)說明,

然后是作者,利用guassian計(jì)算所發(fā)的文章，參考文獻(xiàn)上必須列的

進(jìn)入

Link 101

讀入輸入文件，

將控制命令轉(zhuǎn)化為程序能夠看得懂的IOP占位段的選項(xiàng)和應(yīng)用設(shè)置

Leave Link 101

進(jìn)入

Link 202：

判斷體系對(duì)稱性，并決定實(shí)際計(jì)算中對(duì)稱性應(yīng)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(jì)算輸出文件

如何閱讀高斯的計(jì)算輸出文件

高斯輸出文件的關(guān)鍵是看Link,每個(gè)Link對(duì)應(yīng)不同的部分,以單點(diǎn)計(jì)算為例:單點(diǎn)計(jì)算的流程。

輸入行在#后加入P,不然的話就只會(huì)顯示Link 1和0,輸出文件一般很長(zhǎng)。對(duì)于單點(diǎn)計(jì)算，只有300多行。

第一部分：

基本運(yùn)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(hào)

首先是版權(quán)說明,

然后是作者,利用guassian計(jì)算所發(fā)的文章，參考文獻(xiàn)上必須列的

進(jìn)入

Link 101

讀入輸入文件，

將控制命令轉(zhuǎn)化為程序能夠看得懂的IOP占位段的選項(xiàng)和應(yīng)用設(shè)置

Leave Link 101

進(jìn)入

Link 202：

判斷體系對(duì)稱性，并決定實(shí)際計(jì)算中對(duì)稱性應(yīng)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(biāo)轉(zhuǎn)換為標(biāo)準(zhǔn)內(nèi)坐標(biāo), 就是

Standard orientation:

這是程序默認(rèn)，充分利用分子的對(duì)稱性來達(dá)到方便計(jì)算的目的。就是將體系的質(zhì)量中心放在坐標(biāo)軸的主軸或者原點(diǎn)上?？梢杂胣osym來禁止這個(gè)操作

Leave Link 202

進(jìn)入

Link 301 產(chǎn)生基組信息

基組函數(shù)對(duì)稱性

計(jì)算出核排斥能

Leave Link 301

進(jìn)入

Link 302，303 ,這部分是計(jì)算積分的具體算法,一般不會(huì)列出詳細(xì)過程,一句話帶過

leave Link302,303

進(jìn)入

Link 401 在實(shí)際計(jì)算之前，必須有初始猜測(cè)，這部分的功能就是產(chǎn)生初始猜測(cè)，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)鍵字來指定。

我這個(gè)體系,程序默認(rèn)是:

Projected INDO Guess(請(qǐng)仔細(xì)看手冊(cè),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(shè)定收斂標(biāo)準(zhǔn)：

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

SCF計(jì)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，無論哪一個(gè)先達(dá)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(jì)算完畢

SCF Done,接下來就是打印計(jì)算出來的能量,自旋,維力值和收斂判據(jù)了.

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

如果你的單點(diǎn)計(jì)算只寫了這些,輸出結(jié)束,如果你加入了population的內(nèi)容,那么,基于scf計(jì)算的結(jié)果,布局分析開始

進(jìn)入Link601

Link 601 利用優(yōu)化后的波函數(shù)，

進(jìn)行Mulliken population,得到

軌道對(duì)稱性

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(jì)算結(jié)果的一個(gè)總結(jié),各小節(jié)之間用\分開

單點(diǎn)計(jì)算看明白之后看幾何優(yōu)化的就比較清楚了