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- ab initio thermodynamic method 第一原理热力学方法
- Ab initio simulations of optical and thermodynamic properties of LiF[J]. 引用该论文 史海峰;代雪峰;姬广富;刘红;龚自正;郭永新.
- The agreement was declared void ab initio. 此协议自一开始就被宣布无效。
- The ab initio design of the new car was accepted. 新车最初的设计已被接纳。
- A revoked civil activity is void ab initio. 被撤销的民事行为从行为开始起无效。
- A void civil activity is void ab initio. 第二款的英译可大大精简如下,请指正
- The article elaborates the method of adding pseudo - potential to ab initio calculation to solve problems in multi - electron system. 文章介绍了在从头计算方法中加入赝势来求解多电子体系问题的方法。
- The discrete veriational method(DVM) and the package of quantum chemical ab initio calculationsfor molecules and clusters are introduced. 并扼要地介绍了离散变分方法(DVM)和量子化学从头计算软件包(DMOL3)。
- Previous model calculations for X~- + CH_3X indicated tha t MNDO method gave qualitative agreement with ab initio studies. 对于X~-+CH_3X的模型反应,前人计算表明MNDO法与从头计算定性相符合。
- An invalid or canceled contract is not legally binding ab initio. 无效的合同或者被撤销的合同自始没有法律约束力。
- Transplant and Application of Gauss 80 Ab Initio Program. Gauss 80从头计算程序的移植和应用
- An ab initio study on the geometry of complex Benzene-I2[J]. 引用该论文 李新营;赵永芳;井孝功;秦艳利;其木苏荣;苏文辉.
- An ab initio potential energy surface of He-LiH complex[J]. 引用该论文 黄武英;凤尔银;季学韩;崔执凤.
- Ab initio study of the Structure and Decomposition for RDX[J]. 引用该论文 陆裕平;朱俊;程新路;程艳;杨向东;董洁.
- Ab initio quantum chemical method has been used to study the proton transfer of the L-form of 2-hydroxyethenyl-1-oxy(C_2H_3O_2) radical. 用量子化学从头计算方法研究了2-羟基-1-氧基乙烯自由基的质子转移反应。
- Ab initio MP2 method is performed to study the reaction mechanism and kinetics of stannous chloride series in coal combustion. 用量子化学MP2方法对煤燃烧过程中的氯化亚锡系列化合物生成反应机理和反应动力学进行了理论研究。
- Ab initio MP2 method was performed to study the reaction mechanism and kinetics of mercury chloride series during the process of coal combustion. 采用量子化学MP2方法对煤燃烧过程中的氯化汞系列化合物生成反应机理和反应动力学进行了探讨。
- The equilibrium configuration, potential energy and population of (BeO)~+ and (Be_2O)~+ ions have been calculated by quantum chemical ab initio method with STO-3G basis set. 本文用量子化学从头计算方法对Be~+、(BeO)~+及(BeO_2)~+等含铍一价正离子作了计算和研究。
- The exo and endo reaction mechanisms of 1,3 - cyclohexadiene with propylene have been comprehensively studied by using ab initio method at 3 - 21G level. 采用从头算方法在3-21G基组上研究了1;3-环己二烯与丙烯生成exo和endo产物的反应机理.
- Based on ArS 2 analysis potential function, which was calculated using ab initio MP2/6 31+G method and multi body expansion theory, the dynamic process has been studied. 采用abinitioMP2 /6 - 31+G方法计算了ArS2 体系分析势能函数 .