1、AB INITIO COMPUTATIONS OF CHRYSENE AND 5-METHYLCHRYSENE
(艸屈)和5-甲基(艸屈)的ab initio計(jì)算

2、Ab Initio Calculations on Fe_2S_2Cl_4~(2-)
Fe_2S_2Cl_4~(2-)電子結(jié)構(gòu)的從頭計(jì)算

3、Ab initio Molecular Dynamics Simulations of High-Density Hydrogen
高密度氫的從頭計(jì)算分子動(dòng)力學(xué)模擬

4、Relativistic Pseudopotential Ab Initio Study of Boron Halides
三鹵化硼的相對(duì)論贗勢(shì)ab initio研究

5、An Ab initio Study on a New Pathway for the Synthesis of Oxirane
合成環(huán)氧乙烷新途徑的從頭算研究

6、Ab Initio Study of B_4C_2, B_2C_4 Clusters
B_4C_2、B_2C_4簇的從頭算研究

7、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上吸附的從頭算研究

8、ab initio Studies on the Electronic Structure and Strains of Pagodanes
寶塔烷電子結(jié)構(gòu)與張力的ab initio研究

9、Ab Initio Calculations on HC_nS~- and HSC_n~- Cluster Ions
HC_nS~-與HSC_n~-簇離子的量子化學(xué)從頭計(jì)算

10、The program of Ab Initio LCAO SCF MO Calculations Using GTF as Basis Sets
以高斯函數(shù)為基組的自洽場(chǎng)分子軌道從頭計(jì)算程序

11、Ab Initio Study on the Mechanism of Shilov Reaction
用從頭算研究Shilov反應(yīng)的機(jī)理

12、Ab initio Study of CO Absorption on Copper Surfaces
銅表面一氧化碳吸附的ab initio研究

13、AN AB INITIO MO STUDY ON ADDITION REACTION OF HF ON ETHYLENE
氟化氫與乙烯加成反應(yīng)的ab Initio分子軌道研究

14、Transplant and Application of Gauss 80 Ab Initio Program.
Gauss 80從頭計(jì)算程序的移植和應(yīng)用

15、Quantum chemistry ab initio and the ground state(x~1∑~+)of DF
DF分子基態(tài)(x~1∑~+)的量子化學(xué)從頭計(jì)算

16、An ab initio Study on the Interaction Between Formaldehyde and Acetonitril
甲醛與 * 相互作用的ab initio研究

17、ab initio CALCULATION OF Mo_2
Mo_2分子的ab initio研究

18、Ab initio Calculations on Fe_2S_2 (SH)_4~(2-,3-)
Fe_2S_2(SH)_4~(2-,3-)的從頭計(jì)算

19、Ab initio Study of Hydrogen Bonding Cluster NH3-CHOH
NH_3-CH_3OH氫鍵團(tuán)簇體系的從頭計(jì)算研究

20、Ab Initio Studies on Some Borane Ions and Their Derivatives
一些 * 離子及其衍生物的理論研究

21、An Ab Initio Study of the Vertical Excited States of HeN_2~+ Cluster
離子簇合物HeN_2~+的電子光譜的從頭算研究

22、Quantum Chemistry Ab Initio Calculation of Vibration Spectrum of β-elemene
β-欖香烯振動(dòng)光譜的量子化學(xué)從頭計(jì)算

23、The Ab initio Study of Molecular Water Adsorption on Cu(100)
H_2O在Cu(100)表面吸附的從頭算研究

24、AB INITIO STUDY OF 1,2 DISELENOSQUARIC ACID
1,2-二硒方酸的從頭計(jì)算

ab initio翻譯

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