ab initio
英式音标：[ˌæb ɪˈnɪʃiəʊ] 怎么读
美式音标：[ˌæb ɪˈnɪʃioʊ] 怎么读
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ab initio词义
adv.
从开始起；自始；
英英释义
ab initio [ ,æbi'niʃiəu ]
adv.at the beginning
同义词：initiallyat firstat the start
ab initio用法
权威例句
Ab initio molecular dynamics for liquid metalsAb Initio Characterization of C- 4, C4H, and C4H-
Ab initio calculation of the origin of the distortion of α-PbO
Ab initio molecular-dynamics simulation of the liquid-metal-amorphous-semiconductor transition in germanium.
Energy-adjusted ab initio pseudopotentials for the second and third row transition elements
Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra: 6,8-Dioxabicyclo[3.2.1]octane
Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields. J Phys Chem 98...
COMPASS: An ab Initio Force-Field Optimized for Condensed-Phase ApplicationsOverview with Details on Alkane and Benzene Compounds
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
ab initio造句
1. The agreement was declared void ab initio.
此协议自一开始就被宣布无效。
《牛津词典》
2. For other projects, you may need to estimate the size of requirements that you plan to build over several iterations, or which you can commit to the overall product release ab initio.
而对于其它项目，您可能需要对将要嵌入的多次迭代，或者从一开始您就要负责的整个产品发布中的需求大小进行评估。
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3. Ab initio molecular orbital method has been employed, in this paper, to study the mechanism of the hydrolysis of acetylcholine.
本文对乙酰胆碱水解反应历程进行了从头算分子轨道研究。
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4. The third part analyzes the genome structure of Arabidopsis thaliana and develops an ab initio eukaryotic gene recognition program.
论文的第三部分是真核生物基因识别和基因组结构分析。
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5. The ab initio prediction of protein structure is to solve a global optimization problem per se, in which the first step is to build a mathematical model.
利用氨基酸序列预测蛋白质结构可以归结为一个复杂系统的全局优化问题，建立一个合理的预测模型是关键性的第一步。
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6. In addition, all Cabin Crew (after AB-Initio training) receive an Hourly Flying Pay (HFP), which is grade dependent. This is for each hour of productive commercial flying duty.
另外，在培训之后的所有乘务员都会有不同等级的HFP（小时费）。这是为每小时商业飞行任务所提供的。
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7. By using the ab initio molecular dynamics method, we have studied the structural properties of liquid gallium at high temperature and high density.
采用第一性原理分子动力学方法研究了高温下正常密度和高密度液体镓的结构和性质。
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8. The reaction of HNO with o radical was investigated by density functional theory (DFT) and ab initio methods.
用密度泛函理论(DFT)和从头算方法，对HNO与O自由基反应进行了研究。
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9. Ab initio calculations are performed, using a slab model with 6 atom-layers, to investigate the character of clean surface, surface with vacancy.
利用第一性原理赝势法，采用6层原子层的层晶模型研究了完整铜表面、含空位缺陷表面的性质。
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10. We report the Young's modulus of a series single-wall carbon nanotubes (armchair type and zigzag type) and BN zigzag type nanotubes on the basis of ab initio theory.
基于第一性原理计算了一系列单壁碳纳米管(椅型、锯齿型)和氮化硼锯齿型纳米管的杨氏模量。
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11. The B_2C_3 cluster was studied by using quantum chemical ab initio method. Various possible structures, related vibrational spectra and binding energies were calculated.
用量子化学从头计算方法研究了B_2C_3簇各种可能的空间结构，计算了相应的振动光谱和结合能。
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12. This paper discusses the quantum chemistry ab initio calculation method and some semi-empirical calculation methods frequently used on the electronic structure.
对电子结构计算中常用的量子化学从头算方法及几种量子化学半经验计算方法进行了讨论。
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13. This kind of molecular material has strong nonlinear optical properties, and its electronic structures and dipole moments are calculated by use of density functional theory on ab initio level.
该分子材料具有较强的非线性光学性质，其分子的电子结构和电偶极矩是在密度泛函理论水平上利用从头计算方法得到的。
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14. Using ab initio method, the minimum energy conformations and netcharge distribution have been studied for H_2CN radical isomers formed by addition ofa H atom (or an electron) to HCN (or HNC) molecule.
用量子化学从头计算法研究了HCN、HNC分子与H原子和电子加成生成的H_2CN自由基异构体的最低总能量构象和净电荷分布。
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15. The calculation results showed that Ab initio had its advantages in the calculating of atom cluster, especially in the aspect of precision and total energy calculation.
计算结果表明：从头计算方法用于原子簇的计算在精度和总能量计算方面有其自身的优势；
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16. 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。
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17. Two different symmetric configurations in the electronic structure of propadiene molecule are calculated by adopting PSHONDO SCF full electronic ab initio calculation.
采用PSHONDO- SCF全电子从头计算程序，对丙二烯分子的两种不同对称性构型的电子结构进行计算。
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18. The geometry, electronic structure and vibrational spectrum of B_8N_ (12) cluster were studied by using quantum chemical ab initio method, and its stability and properties were discussed.
用量子化学从头计算方法研究B_8N _(12)的几何构型、电子结构和振动光谱，讨论其稳定性和化学反应性质。
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19. To find unknown protein-coding genes, annotation pipelines use a combination of ab initio gene prediction and similarity to experimentally confirmed genes or proteins.
为了找出编码蛋白质的基因，注释流程结合了“从头开始的基因预测方法”和“与已知基因相似性比较”这两种方法。
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20. 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。
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21. The energy bands and density of states were calculated using the VASP(Vienna ab-initio simulation package) program.
在此基础上计算了化合物的能带结构和电子能态密度。
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22. Ab initio DFT/B3LYP calculations at 6—31G basis set level were carried out for the possible product radicals of guanine attacked by·OH.
采用密度泛函（DFT）理论中B3LYP方法在6—31G基组水平上对鸟嘌呤（G）受羟基自由基进攻形成的各种可能产物自由基进行几何全优化。
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23. It is very easy to apply this optimization approach to various semi-empirical and ab initio molecular orbital calculation.
该法容易应用到各种半经验的和从头计算量子化学的方法中去。
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24. How to change a string delimiter in Ab Initio?
如何改变从头字符串分隔符？
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25. The ab initio method, which is theoretically accurate, is applied to calculate the energy band structure of diamond. The results obtained is in good agreement with the experimental values.
本文利用理论上严格的从头算方法计算了金刚石的能带，得到了与实验基本一致的结果。
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26. The efficiency of gene prediction could be improved by ab initio prediction combined with EST information.
利用这些特征可以提高特定序列中这三类元件的预测效率。
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27. With such a system one can run short ab initio molecular dynamics simulations for perhaps up to 100 ps.
在这样的体系里面，可以进行一个短的从头算来进行分子动力学模拟，或许可以达到100ps。
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28. The results show that in ab initio method the choice of pseudopotential has great influence, and different basis function leads to different lattice constant in si material.
计算结果表明，在第一性原理计算方法中，赝势的选用和基函数的确定对计算结果起很大影响，不同的基函数对应不同的硅单晶的晶格常数。
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29. Untilwe can compute rates at an ab initio level (and with an accurate ab initio theory at that), we must treat any predictions of absolute nucleation rates with the utmost caution.
我们在从头算的精度水平计算成核速率(利用精确的从头算理论)，对待任何一个绝对成核速率的计算都要万分小心。
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30. Untilwe can compute rates at an ab initio level (and with an accurate ab initio theory at that), we must treat any predictions of absolute nucleation rates with the utmost caution.
我们在从头算的精度水平计算成核速率(利用精确的从头算理论)，对待任何一个绝对成核速率的计算都要万分小心。
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31. The contract was void ab initio
合约从开始便已经无效
-- 来源 -- 英汉 - 翻译样例 - 法规
32. 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。
-- 来源 -- 英汉 - 翻译参考[网络]
33. theory and information by analyzing electric field Gradients and shielding constants obtained from ab
利用元始计算的电场梯度及遮蔽常数以研究键结理论及信息
-- 来源 -- 网友提供
34. Health and usage monitoring system HUMS in retrofit and ab initio helicopter applications
完好状态和使用监控系统在改型和新研制直升机上的应用
-- 来源 -- 网友提供
35. ab initio wave-function
初始波函数
-- 来源 -- 英汉 - 翻译参考[网络]
36. near ab initio technique
近初始法
-- 来源 -- 英汉 - 翻译参考[网络]
37. trespass ab initio
从开始便侵犯
-- 来源 -- 英汉 - 翻译参考[网络]
38. asymmetric reduction mechanism of p-methylcyclohexanone by sodium borohydride was investigated with ab
用从头计算方法对硼氢化钠不对称还原对甲基环己酮的机理进行了研究。
-- 来源 --
39. ab initio calculatio
从头计算法
-- 来源 -- 英汉 - 翻译参考[网络]
40. Allen and co-worker did ab initio calculation to test the adequacy of SCF MO calculations for predicting
爱伦及其同事应用从头计算法来考查SCF MO计算对于预示分子平衡几何形的适宜性。
-- 来源 -- 英汉 - 辞典例句