Solution of H-F Equations (cont.), Meaning of Eigenvalues, Basis Sets Introduction.
方程解(续)，特征值的意义，基组导论。
Theoretical optimizations with both basis sets show that the equilibrium geometries of the three picolinic acid molecules are completely planar.
二套基组的理论优化表明，三个吡啶甲酸分子都具有平面的平衡构型。
The energy levels calculated with the TNP, DNP and DND basis sets can play important roles in analyzing light absorption and photoemission experiments.
采用TNP，DNP和DND这三种基组所得的能级和态密度可用于分析光吸收，光电子发射等实验数据。
The natural population analysis calculations at the B3LYP level with different basis sets were performed on the three cations and the three parent molecules.
利用B3LYP方法和不同的基组对这三种阳离子及其分子进行了自然布居分析计算。
So it avoids the distortion of electric cloud distribution in basis sets and can obtain a more precise computational result of the electric dipole moment of a given system.
从而在基函数中避免了电子云分布的歪曲，使得出的体系的电偶极矩更为精确。
Ab initio molecular orbital and density functional theory (DFT) in conjunction with different basis sets calculations were performed to study the N-H... o blue-shifted hydrogen bond in the HNO dimer.
利用分子轨道从头算理论和密度泛函理论结合不同理论基组对于N - H…O蓝移氢键进行了详细的研究。
The alternative is a break-up basis, which sets values according to what the assets could be sold for immediately.
另一种选择是破产基础，即根据可以立即出售的资产来设定价值。
So far, you've seen that Rational Team Concert presents information to reports in tables, which form the basis of data sets in BIRT.
到目前为止，您已经看到了表格中报告的RationalTeam Concert信息，它组成了BIRT数据集的基础。
Schematron could be the basis for a reference implementation for the validating rule sets for HL7 Templates.
Schematron可以是HL7Templates验证规则集的参考实现的基础。
Privileges, privilege groups, privilege sets and ACLs form the basis of the authorization system of IBM DB2 CM and are discussed in further detail later in the article.
权限、权限组、权限集合和ACL形成了IBMDB 2CM授权系统的基本结构，本文后面将详细讨论。
First, it requires no ongoing synchronisation, and sets up connections on the basis of a particular request at a particular moment in time.
首先，它不要求同步，并且它按照特定的请求随时建立连接。
This class sets the theory basis, next 7 classes are purely "hands-on" full edits. Original versions of all photos are provided - simply download them and follow me along!
这个类设置了理论基础，接下来的7个类都是纯粹的“动手”的全编辑。所有照片的原始版本-简单地下载他们，并跟着我！
The basis of all modern character sets is the American Standard Code for Information Interchange (ASCII), published in 1968 as ANSIX3.4.
所有现代字符集的基础都是在1968年以ansix3.4版本出版的美国信息交换标准码(American Standard Codefor Information Interchange,ASCII)。
There are two main sets of Games-the Winter and Summer Olympics, and both are held every four years on a regular basis.
有两种主要的运动会形式——冬季和夏季奥运会，并且在一个有规律的基础上他们都是四年举办一次的。
This research USES rough sets to reduce this factors, then adopts radial basis function networks to predict and diagnose the continuous casting slab defect.
提出用粗糙集理论简化这些因素，然后采用径向基函数网络对连铸板坯缺陷进行预报诊断。
The course will be graded on the basis of five problem sets and a three-hour final exam.
本课程将根据五个问题集和一个三小时的期末考试进行评分。
In 1992, OSTP issued an update to the CF6 that sets forth a risk-based, scientifically sound basis for the oversight of activities that introduce biotechnology products into the environment.
1992年，科学技术政策局发布了协调制度的更新版本6，为监督将生物技术产品引入到环境中的活动提供了一个基于风险、科学有效的监督活动依据。
In this paper, we investigate attribute sets and attribute measures which form the basis of attribute mathematics.
本文研究了属性集和属性测度，它们是属性数学的基础。
First, it introduces the mathematic basis of fractal theory, such as the fractal definition, dimension, fractal principle and representative fractal sets.
首先叙述了分形的数学基础，包括分形的定义、维数、分形的基本原理、典型分形集的分析。
And that's what these will be for on a weekly basis for each of the remaining problem sets.
这就是为那些每周剩余的习题集，而打好基础的。
Chapter one and chapter two sets out the basis of the entire paper.
第一章和第二章是整篇论文阐述的基础。
Through multiple Wells pumping, the groundwater circulation condition is changed, thus water is drinkable finally, and sets a basis of comprehensive utilization of Ordovician water in the region.
通过群孔抽水试验，改变了地下水的循环条件，使水质达到了生活用水导致标准，为此区奥灰水的综合利用打下了基础。
Based on the analysis of water quality value, the theory of water quality capital sets up new theoretical basis for the management of water quality.
在水质价值分析基础上，建立水质资本理论，这也为水质管理奠定了新的理论基础。
This paper is mainly concerned with extracting effective features from the recognized or classified signals by selecting wavelet packet basis via given training sample sets.
本文主要研究由给定的训练样本集，如何选择最优小波包基，从被识别或分类的信号中提取具有最大可分性的特征。
This paper presents a novel rough set model based on concordance relation, according to which the objects are less indiscernible and tolerant on the basis of classical and tolerant rough sets.
在传统的粗糙集模型和相容粗糙集模型基础上，通过松弛对象之间的不可分辨和相容性条件，给出了一种新的基于和谐关系的粗糙集模型。
On the basis of traditional Yoga training, Yinjia Yoga sets up special exercises with extra emphasis according to different ages and health conditions, and provides personal services for members.
在传统瑜伽教学的基础上，印迦瑜伽馆还针对不同年龄和身体状况的人群，编排出具有不同侧重点的特色瑜伽，真正为学员提供个性化的服务。
It occurs on the basis of the awareness of classes, types, groups and sets, is stimulated by properly-organized classroom teaching information.
学习者通过种种课堂经验所产生的类的意识是此种心理范畴化的意识基础。
Based on this method, the rapid development of control prototype of TCS for certain kind of vehicle has been completed, which sets the basis for developing target electric control unit of TCS.
采用该方法完成了某车型牵引力控制原型的快速开发，为进一步开发目标电控单元奠定了基础。
Based on this method, the rapid development of control prototype of TCS for certain kind of vehicle has been completed, which sets the basis for developing target electric control unit of TCS.
采用该方法完成了某车型牵引力控制原型的快速开发，为进一步开发目标电控单元奠定了基础。
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