助手标题  
全文文献 工具书 数字 学术定义 翻译助手 学术趋势 更多
查询帮助
意见反馈
   方程 在 化学 分类中 的翻译结果: 查询用时:0.018秒
图标索引 在分类学科中查询
所有学科
化学
数学
力学
石油天然气工业
天文学
物理学
机械工业
中等教育
地质学
更多类别查询

图标索引 历史查询
 

方程
    很抱歉,暂未找到该词条在当前类别下的译词。您可以查看在所有学科下的译词。
相关语句
  “方程”译为未确定词的双语例句
    STUDY OF ESTERIFICATION REACTIONS CATALYZED BY HYDRATED SULPHATE SALTS Ⅱ. A CATALYZING LINEAR FREE-ENERGY RELATIONSHIP
    硫酸盐水合物催化下的酯化反应 Ⅱ.催化线性自由能方程
短句来源
    KINETIC STUDIES ON METHANE STEAM REFORMING Ⅱ. RATE EXPRESSIONS
    甲烷水蒸汽反应动力学的研究——Ⅱ.动力学方程
短句来源
    KINETICS OF HETEROGENEOUS EXCHANGE OF OXYGEN
    异相同位素氧交换反应动力学方程
短句来源
    PARAMETERS ESTIMATION OF KINETIC EQUATIONBY ORTHOGONAL DESIGN——THE KINETICS OF DEEP OXIDATION OF BUTADIENE ON MoBiCe/SiO_2 CATALYST
    用正交设计法估计动力学方程中的参数——在MoBiCe/SiO_2催化剂上丁二烯深度氧化动力学
短句来源
    Study on the Concentration Effect in Gel Permeation Chromatography A New Method for Calibration of Universal Calibration Curves with Polydispersed Polymers
    GPC浓度效应的研究——用多分散试样标定普适标定曲线方程新方法
短句来源
更多       
查询“方程”译词为用户自定义的双语例句

    我想查看译文中含有:的双语例句
例句
没有找到相关例句


In this paper a new method has been proposed for computing the potential functions of internal rotations.Applying this method,we have calculated the potential functions of several important molecules,such as 1,2-dichloroethane, 1,1,2-trichloroethane,1,1,2,2-tetrachloroethane,n-butane,2-methyl butane,2,3- dimethyl butane,etc.All the calculated results agree with the experimental data. According to our theory,the potential functions of the three types of molecules CX_2Y-CX_2Y,CXY_2-CXY_2 and CX_2Y-CXY_2 are intimately...

In this paper a new method has been proposed for computing the potential functions of internal rotations.Applying this method,we have calculated the potential functions of several important molecules,such as 1,2-dichloroethane, 1,1,2-trichloroethane,1,1,2,2-tetrachloroethane,n-butane,2-methyl butane,2,3- dimethyl butane,etc.All the calculated results agree with the experimental data. According to our theory,the potential functions of the three types of molecules CX_2Y-CX_2Y,CXY_2-CXY_2 and CX_2Y-CXY_2 are intimately related,if the poten- tial function of the first molecule is written as V_1(φ)=A_1+Bcosφ+Ccos2φ+D_1cos3φ. Then those of the second and the third will be of the following forms: V_2(φ)=A_2+Bcosφ+Ccos2φ+D_2cos3φ V_3(φ)=A_3-Bcosφ-Ccos2φ+D_3cos3φ where D_i~'s(i=1,2,3)can be calculated from the potential barriers of CX_3-CX_3, CY_3-CY_3,CX_3-CY_3 or similar kinds of molecules,while the A_i~'s are not important for actual problems. In this paper we have also discussed the structures of hydrazine,ethyl alco- hol,hydrogen peroxide,and the meso and active forms of the CXYZ-CXYZ type of molecules.Besides,we have pointed out that the potential functions of both the meso and the active forms of the CXYZ-CXYZ type can be calculated from those of the CX_2Y-CX_2Y,CY_2Z-CY_2Z and CZ_2X-CZ_2X types.

本文对分子内旋转问题作了以下的贡献:首先在理论上,提供了一种分子内旋转势函数的新的计算方法。这种新方法不仅理论上来得谨严,避免了以往旧方法中的一些缺点,而且比较简单,应用范围也因此比较广泛。其次,应用这种方法到一些具体问题,得到了下列结果:1.严格的得到了 Pitzer 方程,并估计了它的准确程度。2.证明了 CX_2Y-CX_2Y、CY_2X-CY_2X 和 CX_2Y-CXY_2内旋转势函数间的连系性,设第一种分子的势函数为V_1(φ)=A_1+B cosφ+C cos 2φ+D_1 cos 3φ第二和第三两种分子的势函数分别为V_2(φ)=A_2+B cosφ+C cos 2φ+D_2 cos 3φ和V_3(φ)=A_3-B cosφ-C cos 2φ+D_3 cos 3φ具体讨论了两类很重要的相关的分子:一类是 CH_2Cl—CH_2Cl、CHCl_2—CHCl_2和CHCl_2—CH_2Cl,另一类是 CH_2(CH_3)—CH_2(CH_3)、CH(CH_3)_2—CH(CH_3)_2和CH_2(CH_3)—CH(CH_3)_2。理论上得到的结果和实验全都符合。3.批判了以往一些人建议...

本文对分子内旋转问题作了以下的贡献:首先在理论上,提供了一种分子内旋转势函数的新的计算方法。这种新方法不仅理论上来得谨严,避免了以往旧方法中的一些缺点,而且比较简单,应用范围也因此比较广泛。其次,应用这种方法到一些具体问题,得到了下列结果:1.严格的得到了 Pitzer 方程,并估计了它的准确程度。2.证明了 CX_2Y-CX_2Y、CY_2X-CY_2X 和 CX_2Y-CXY_2内旋转势函数间的连系性,设第一种分子的势函数为V_1(φ)=A_1+B cosφ+C cos 2φ+D_1 cos 3φ第二和第三两种分子的势函数分别为V_2(φ)=A_2+B cosφ+C cos 2φ+D_2 cos 3φ和V_3(φ)=A_3-B cosφ-C cos 2φ+D_3 cos 3φ具体讨论了两类很重要的相关的分子:一类是 CH_2Cl—CH_2Cl、CHCl_2—CHCl_2和CHCl_2—CH_2Cl,另一类是 CH_2(CH_3)—CH_2(CH_3)、CH(CH_3)_2—CH(CH_3)_2和CH_2(CH_3)—CH(CH_3)_2。理论上得到的结果和实验全都符合。3.批判了以往一些人建议的乙醇的内旋转势函数经验式,从理论上提出了乙醇势函数的正确形式,并推断了乙醇的内旋转异构体。4.由内旋转势函数推得过氧化氢的结构,并推得联氨的可能结构,和实验结果相符合。并提供了一种实验方法,来判断联氨分子中的——因此也就是氨分子中的氮原子上独对电子的性格,是 s 还是 sp~3,或者接近于哪一种。 5.讨论了 CXYZ-CXYZ 内旋消式和活性式的内旋转问题,证明了它们的内旋转势函数,和 CX_2Y-CX_2Y、CY_2Z-CY_2Z 以及 CZ_2X-CZ_2X 的密切相关联。知道了后三者的势函数,前者的也就立刻可以计算。同时推测了 CXYZ-CXYZ内旋消式有两种内旋转异构体,活性式有三种,都以对位结构为最稳定。根据我们所讨论的,可以很清楚地看出:Pitzer 和 Crawford 等人所造的计算表已经不够用了。为了使得分子内旋转问题很好的向前发展,需要造一种以V_(φ)=A+B cosφ+C cos 2φ+D cos 3φ为内旋转势函数的计算表。

In this article it is pointed out that the semi-empirical van der Waals' equation of state for gases is particularly unsatisfactory in the neighborhood of the critical point, as indicated by the fact that the experimental values of the critical ratio (?) seldom agree with the theoretical constant value 8/3. It is also noted that this τ value may serve as a satisfactory measure (at least to a first approximation) of the deviation of the law of corresponding states when applied to gases at high densities. We have...

In this article it is pointed out that the semi-empirical van der Waals' equation of state for gases is particularly unsatisfactory in the neighborhood of the critical point, as indicated by the fact that the experimental values of the critical ratio (?) seldom agree with the theoretical constant value 8/3. It is also noted that this τ value may serve as a satisfactory measure (at least to a first approximation) of the deviation of the law of corresponding states when applied to gases at high densities. We have therefore proposed in this communication a rather straightforward modification of the van der Waals' equation which leads to an empirical three-constant equation of state for gases involving this τ value as an adjustable parameter and thus requiring only critical data for the determination of the three constants. This equation is made to fit the p-V-T data at the critical point, but reduces itself to the simpler forms of the van der Waals' equation and the ideal gas equation for lower values of gas densities. Numerical calculations made for gases of widely different τ values show that this rather simple equation of state is fairly satisfactory even at high densities. The plausibility of using the τ value as an adjustable parameter both for the equation of state and for the law of corresponding states is also briefly discussed.

本文指出任何僅含兩個常數的氣態方程,在臨界點附近的缺點是特別顯著的。同時也指出,對應態定律應用到高密度氣體的偏差,可以相當滿意地用臨界係數(?)來衡量。因此我們建議將van der Waals方程,修改爲三常數的經驗方程,它的優點是這三個常數可以直接從氣體的臨界點數據計算出來;而且實例計算(包括極性很強和τ值很大的甲醇)說明它在相當大的温度和密度範圍內可以適用。將這個經驗式,寫成對比方程顯然含有臨界係數τ,就離開臨界點不太遠的氣體來說,這個函數關係可以相當满意地用本文方程總結出來。

A new method is proposed in this paper for the evaluation of the following three important kinds of three-center and four-center integrals needed in molecular quantum mechanics: (1) (2) (3) Obviously, integral (2) is a special case of integral (3), so we need only to evaluate the first and the third. The following equations have been obtained for the evaluation of the above-mentioned two kinds of integrals (4) (5) where (6) (7) (8) (9) R_0 in equation (4) is the distance of point a apart from the origin located...

A new method is proposed in this paper for the evaluation of the following three important kinds of three-center and four-center integrals needed in molecular quantum mechanics: (1) (2) (3) Obviously, integral (2) is a special case of integral (3), so we need only to evaluate the first and the third. The following equations have been obtained for the evaluation of the above-mentioned two kinds of integrals (4) (5) where (6) (7) (8) (9) R_0 in equation (4) is the distance of point a apart from the origin located in bc line, while that in equation (5) is the distance between the two chosen origins separately located in ab and cd lines. θ_0 is the angle made byand, and θ_(10), θ_(20) and θ_(12) are respectively the angles made by and,and,and, The fourth term of equation (5) is, in general, negligible except in the case of R_0, which is less than two Bohr units. We propose two methods for the evaluation of and : the first one is to choose the origin at the end-point of the bond and evaluate the integral strictly inside and outside the sphere of radius, while the second one is to choose the origin at the mid-point of the bond and evaluate its value inside and outside the ellipsoid passing through the end-point of. The calculation involved in the second method is quite simple and, of course, a small error is introduced in changing the region of integration from the sphere to the ellipsoid, but it is quite negligible in comparison with the result of our first method. Equation (4) is exact in all cases, while equation (5) is exact in many cases but also involves certain errors in some other cases. From our actual calculations, we draw the conclusion that equation (5) is almost exact in the evaluation of integrals L_(aa, bc) and L_(ab, cd) and that certain error is involved in the evaluation of integral L_(ab, bc), but the error introduced does not exceed ten per cent.

在本篇文章中,我們建議了一種新方法來計算量子力學中的三中心和四中心積分;這方法此以往的好,因為計算簡單,應用廣闊,結果也比較可靠。我們用來計算三中心吸引能的公式[方程(5)]是在任何情况下都是正確的,而用來計算三中心和四中心的排斥能積分公式[方程(18)]在某些情况下是正確的,在另一些情况却能引進一些誤差。在計算非相隣鍵的積分時引進的誤差很小,可以忽略不計;在計算相隣鍵的積分時引進的誤差此較大,但不超過百分之十。我們建議兩種計算A_u和B_u的方法,一種方法是以鍵的一個端點爲原點,嚴格按照球內外的區域積分;另一種方法是以鍵的中點為原點,按照橢圓體的內外區域積分。前一種方法理論上嚴密,然而後一種方法計算簡單,收斂性快,引進的誤差也不大;尤其在計算相隣鍵的三中心排斥能的積分時,似乎後一方法得到的結果還比前一方法好。在本文中,為了容易說明起見,常常引用吸引能和排斥能這兩個名詞,實際我們的方法,是用來計算下列三類積分:它們不僅包括吸引能和排斥能積分,也把交换積分包括在內,甚至可以在更廣泛的意義上看待上列積分。若σ_1,σ_2也是Φ_1和Φ_2的函數時,仍可以用我們的一般展開理論處理,不過要此本...

在本篇文章中,我們建議了一種新方法來計算量子力學中的三中心和四中心積分;這方法此以往的好,因為計算簡單,應用廣闊,結果也比較可靠。我們用來計算三中心吸引能的公式[方程(5)]是在任何情况下都是正確的,而用來計算三中心和四中心的排斥能積分公式[方程(18)]在某些情况下是正確的,在另一些情况却能引進一些誤差。在計算非相隣鍵的積分時引進的誤差很小,可以忽略不計;在計算相隣鍵的積分時引進的誤差此較大,但不超過百分之十。我們建議兩種計算A_u和B_u的方法,一種方法是以鍵的一個端點爲原點,嚴格按照球內外的區域積分;另一種方法是以鍵的中點為原點,按照橢圓體的內外區域積分。前一種方法理論上嚴密,然而後一種方法計算簡單,收斂性快,引進的誤差也不大;尤其在計算相隣鍵的三中心排斥能的積分時,似乎後一方法得到的結果還比前一方法好。在本文中,為了容易說明起見,常常引用吸引能和排斥能這兩個名詞,實際我們的方法,是用來計算下列三類積分:它們不僅包括吸引能和排斥能積分,也把交换積分包括在內,甚至可以在更廣泛的意義上看待上列積分。若σ_1,σ_2也是Φ_1和Φ_2的函數時,仍可以用我們的一般展開理論處理,不過要此本文複雜。

 
<< 更多相关文摘    
图标索引 相关查询

 


 
CNKI小工具
在英文学术搜索中查有关方程的内容
在知识搜索中查有关方程的内容
在数字搜索中查有关方程的内容
在概念知识元中查有关方程的内容
在学术趋势中查有关方程的内容
 
 

CNKI主页设CNKI翻译助手为主页 | 收藏CNKI翻译助手 | 广告服务 | 英文学术搜索
版权图标  2008 CNKI-中国知网
京ICP证040431号 互联网出版许可证 新出网证(京)字008号
北京市公安局海淀分局 备案号:110 1081725
版权图标 2008中国知网(cnki) 中国学术期刊(光盘版)电子杂志社