性质
- 与 性质 相关的网络例句 [注:此内容来源于网络,仅供参考]
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Density Functional Theory method was used to optimize the geometries of 209 PCDE molecules, 209 PBDE molecules and 75 PCDD molecules at the B3LYP/6-31G* level. Using computed structural parameters as theoretical descriptors, the forward stepwise multiple regression technique was adopted to obtain QSPR models of environmental partition properties for these POPs by using GQSARF 2.0 and SPSS12.0 for windows programs. The obtained QSPR models are as follows:(1) QSPR models for predicting subcooled liquid vapor pressure, n-octanol/water partition coefficients lgK_(ow and subcooled liquid water solubilities -lgS_(w,l of PCDEs, of which correlative coefficients (R~2) are 0.988, 0.958 and 0.959 and the root-mean-square-error of estimation are 0.134, 0.116 and 0.327 respectively.(2) QSPR models of lgPL and n-octanol/air partition coefficients lgK_(oa for PBDEs, which both contain three structural parameters. The values of R2 for the two models are both 0.997 while the values of RMSEE are 0.073 and 0.062 respectively.(3) QSPR models of lgKow and–lgS_ for PCDEs, which both have one variable (mean molecular polarizability,α). The values of R~2 for the two models are 0.978 and 0.866 and the values of RMSEE are 0.300 and 0.270 respectively.(4) The molecular structures of 24 substituted naphthaline compounds were optimized using Hartree-Fock and DFT methods at four different levels and the same means was used to obtain four three-parameter (EHOMO, q~+ andα) QSPR models of lgK_. The model at the HF/6-311G** level is the best one of which R2 is 0.9662 and RMSEE is 0.380.(5) QSPR study for environmental partition properties of PCDEs was also performed using position of Cl substitution method in which simple parameters of substitution position were taken as descriptors. The multiple linear regression was performed with GQSARF 2.0 and SSPS 12.0 for windows programs to obtain QSPR models of lgP_L, lgK_ and–lgS_ for PCDEs of which R~2 are 0.991, 0.983 and 0.965 and RMSEE are 0.311, 0.100 and 0.300 respectively.
采用密度泛函理论方法在B3LYP/6-31G*水平上对PCDEs、PBDEs和PCDDs的分子结构进行了全优化计算,以计算得到的量子化学参数作为理论描述符,采用GQSARF 2.0和SPSS 12.0 for windows统计程序进行正向逐步回归分析,建立了这些POPs的环境分配性质的QSPR模型:(1) PCDEs的过冷液体蒸汽压、正辛醇/水分配系数lgK_(ow和水溶解度-lgS_(w,l的QSPR模型,这3个QSPR模型的相关系数(R2)分别为0.988、0.958和0.959,估计的均方根误差分别为0.134、0.116和0.327;(2) PBDEs的lgPL和正辛醇/空气分配系数lgK_(oa的QSPR模型,这两个模型都包含三个分子结构参数,其R~2都为0.997,RSMEE分别为0.073和0.062;(3) PCDDs类化合物的lgK_和-lgS_w的QSPR模型,两个模型都只含一个变量,其R~2分别为0.978和0.866,RSMEE分别为0.300和0.270;(4)采用Hartree-Fock和DFT方法,在4种不同水平上优化计算了24个取代萘系列化合物的分子结构,采用上述同样的方法分别建立了四种水平上的三变量lgK_模型,通过比较得到,在HF/6-311G**水平计算得到的模型最好,R为0.966,RSMEE为0.380;(5)同时,采用氯原子取代位置方法对PCDEs的环境分配性质进行QSPR研究,建立了PCDEs的lgPL、lgK_和-lgS_的QSPR模型,其R~2分别为0.991、0.983和0.965,RSMEE分别为0.110、0.100和0.300。
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This paper illustrate this from the nomological angle.Firstly,it analysize the definition of act of bravery in order to explore the divergence.Then by identifying the quality of the act,this paper explains its uncertainty.At last,it focuses on the aid principles to heroes,by this,bringing out nomological reflection on legislation of act of bravery.
本文将从法理学的角度对此问题进行阐述,首先对见义勇为的概念进行分析,从而发现分歧;然后对其行为的性质进行鉴定,说明其性质尚未确定;接下来是对见义勇为者的救济原则,通过这些原则,最后引发对见义勇为立法的法理学思考。
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But with the procedure we changes the property of the space, so we can not realize the intrinsic content of the systems in the noncommutative space.
但是,这样的处理改变了空间性质,不能真实体现物理体系在非对易空间中的性质。
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Some residues are subject to conservative substitution of one residue by another with similar properties, others to nonconservative substitution where one amino acid residue is replaced by another with different propertied.
某些塞住的嘴基属于保守的取代,即一个残基被别一个相似性质的残基取代;其它为非保守的取代,即一个氨基酸残基被另一个不同性质残基取代。
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Firstly,based on the B.Bowermans result about the rate of convergence in Cesaro sense of certain nonhomogeneous Markov chains which the transition matrices converge,we are to study a certain nonhomogenous Markov chains which the transition matrices average converge to a period strongly ergodic stochastic matrice,and control the average convergenc rate of transition matrices,then we get the rate of convergence in Cesaro sense about the nonhomogeneous Markov chains by used the character of norm and the character of nonhomogeneous Markov chains.It is an extension of a B.
首先在B.Bowerman等人研究转移矩阵列收敛的一类非齐次马氏链,其Cesaro平均收敛的收敛速度基础上,研究转移矩阵列平均收敛到一周期强遍历随机矩阵的一类非齐次马氏链,通过控制转移矩阵列平均收敛的收敛速度,利用矩阵范数的性质、非齐次马氏链的相关性质等,得到该非齐次马氏链转移矩阵Cesaro平均收敛的收敛速度,是B。
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Second, process theology has some problems concerning the finitude and temporality of God, eg, the problem of relating God's infinite, nontemporal, primordial nature of God's finite, temporal, growing, and consequent nature, or the problem of seeing unity of experience in each moment of God's omnipresent existence in view of the teaching of relativity physics that there is no simultaneous present throughout the universe.
第二,神学的过程中有一些有关的问题finitude和暂时性的上帝,例如,有关的问题,上帝的无限, nontemporal ,原始的性质,上帝的有限,颞叶,成长,相应的性质,或问题,看到团结的经验,在每个的时刻,上帝的无所不在的存在,鉴于在教学中的相关物理是有没有同时目前在整个宇宙中。
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We also studied the electroluminescent and electrochemical properties of five organoboron compounds with the B2 as acceptor (Mes = 2,4,6-trimethylphenyl).
此外还考察了5个含米基硼为电子受体的有机硼化合物的电化学和在OLED中的性质,发现这5个硼化物在器件中表现出的性质有很大差异,从中筛选出发光较好的蓝光材料B3。
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At last,the eighth chapter explains and defines the experience in term of the position ofdiacectical materialism,concluding that experience is of objectivity,social historicity,dupli-cation,ostensibility and intermediation,and is the unity between the subjective and the ob-jective,the perceptual and the rational,the knowledge and the behaviour,life and history,on the basis of social practice.
论文的最后再一次回顾了历史上的哲学家们对经验的性质、特性所作出的规定和解释。本文站在辩证唯物主义的立场上对经验的性质进行了解释和规定,认为经验具有客观性、社会历史性、重复性、表面性以及中介性,经验是主观与客观的统一,是感性与理性的统一,是知与行的统一,是生活与历史的统一,统一的基础是社会实践。
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Discusses and analyzes in detail the sieving result of outspent asphalt mixture, properties of aggregate and especially the properties of the asphalt mixture in which the reclaiming agent has been added in the outspent one.
对原路面沥青混合料的筛分结果、骨料的性质以及原沥青与加入再生剂后沥青材料的性质进行了较为详细的研究与分析。
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According to the general principles of constitutionalism, legislation, administration and judicature have different properties in public law and different features in the degree of openness and activity. To really realize governance by law, flexible choices should be made between formal positivism and formal passivism according to the different properties and features of legislation, administration and judicature, which altogether depends on the CCP's putting itself in a modest position. Only in this way can the ultimate conception of the harmonious combination of political and legal values of governance by law come into reality.
从宪政的一般原理上看,立法、行政与司法在公法上具有不同的性质,并且在开放性、能动性等方面具有不同的特性,要真正实现依法执政就必须依照立法、行政与司法的不同性质与特点在形式积极主义与形式消极主义间进行灵活选择,而这一切端赖于中国共产党的自我谦抑立场,如此方可实现将依法执政的政治价值与法治价值这两种不同的价值目标进行和谐统合的终极构想。
- 推荐网络例句
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But we don't care about Battlegrounds.
但我们并不在乎沙场中的显露。
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Ah! don't mention it, the butcher's shop is a horror.
啊!不用提了。提到肉,真是糟透了。
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Tristan, I have nowhere to send this letter and no reason to believe you wish to receive it.
Tristan ,我不知道把这信寄到哪里,也不知道你是否想收到它。