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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.
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 STUDIES ON THE ELECTRONIC STRUCTURES OF METALLOCARBOHEDRENE Hf 8C 12 CLUSTER ? Hf_8C_(12)金属碳多面体电子结构的从头计算研究
Ab Initio Study on Transition Metal Carbene Cations 过渡金属卡宾正离子的从头算研究
AB INITIO STUDY OF 1,2 DISELENOSQUARIC ACID 1,2-二硒方酸的从头计算
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。
Ab Initio Study of B_4C_2, B_2C_4 Clusters B_4C_2、B_2C_4簇的从头算研究
Ab Initio Study on the Mechanism of Shilov Reaction 用从头算研究Shilov反应的机理
Ab initio Study of CO Absorption on Copper Surfaces 铜表面一氧化碳吸附的ab initio研究
Ab initio STUDY OF VANADIUM CATECHOLATE BIDENTATE COMPLEXES 钒邻苯二酚双齿配合物从头算研究
Relativistic Pseudopotential Ab Initio Study of Boron Halides 三卤化硼的相对论赝势ab initio研究
Ab initio Study of Hydrogen Bonding Cluster NH3-CHOH NH_3-CH_3OH氢键团簇体系的从头计算研究
Ab initio Study of the Adsorption of CO on a Zn_4O_4 Cluster 一氧化碳在原子簇Zn_4O_4上吸附的从头算研究
The Ab initio Study of Molecular Water Adsorption on Cu(100) H_2O在Cu(100)表面吸附的从头算研究
An Ab Initio Study on Nonlinear Optical Properties of Squarates 1,2方酸衍生物非线性光学性质的从头算研究
An Ab initio Study on a New Pathway for the Synthesis of Oxirane 合成环氧乙烷新途径的从头算研究
Ab Initio Study on Hydrogen Bonding Clusters between 1,4-dioxane and Ammonia 1,4-二氧六环和氨分子氢键团簇的从头算
Ab Initio Study on Stability of Tetratomic Beryllium Borides Clustres 铍硼四原子簇合物的量子化学从头算
AN AB INITIO STUDY ON THE COMPLEXES OF CH 4 AND PtCl 2(H 2O) x(x=0,1,2) 甲烷与PtCl_2(H_2O)_x(x=0,1,2)的配合物结构的从头算研究
The agreement was declared void ab initio. 此协议自一开始就被宣布无效。

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