ab initio
英 [ˌæb ɪˈnɪʃiəʊ]
美 [ˌæb ɪˈnɪʃioʊ]
adv. 自始; 从一开始
adj. 从头开始的
牛津词典
adv.
- 自始；从一开始
from the beginning- The agreement was declared void ab initio.
此协议自一开始就被宣布无效。
- The agreement was declared void ab initio.
adj.
- 从头开始的
starting from the beginning- the ab initio design of a new car
新车从头开始的原始设计
- the ab initio design of a new car
双语例句
- Ab initio studies on the mechanism of the cycloaddition reaction between isocyanic acid and formaldehyde catalytic effect
异氰酸与甲醛环加成反应机理的从头算研究-催化效应 - Ab initio Potential Energy Surface and Microwave Spectra of Ne-CO_2
Ne-CO2的从头算势能面及微波光谱 - By using ab initio method and elastic scattering Green's function theory, electronic transport properties of bis-( 4-mercaptonphenyl)-ether molecule are investigated.
利用从头算方法和弹性散射格林函数理论，研究了4，4'-二巯基二苯醚分子的电输运性质。 - Investigations on Local Structure of Molten Alloys by Experimental and Ab Initio Methods
合金熔体局域结构的实验及从头算研究 - Allen and co-worker did ab initio calculation to test the adequacy of SCF MO calculations for predicting molecular equilibrium geometries.
爱伦及其同事应用从头计算法来考查SCFMO计算对于预示分子平衡几何形的适宜性。 - The chemical shifts of1H and13C have been calculated with ab initio and DFT, all of which are compared with the experimental results.
用从头算法和密度泛函方法计算了碳和氢的化学位移，并与实验结果进行了比较。 - Structure phase transition from α to ε in Fe under non-hydrostatic pressure: an ab initio study
非静水压条件下铁从α到ε结构相变的第一性原理计算 - Ab initio Molecular Dynamics Simulations of High-Density Hydrogen
高密度氢的从头计算分子动力学模拟 - Structure and Ab initio Calculation on AlI and AlI_2 Molecule
AlI，AlI2分子的结构与从头计算 - You will also see more "PRODUCTION_AB_INITIO" runs in the next few weeks.
在接下来的几个星期，你还将看到更多的“PRODUCTIONABINITIO”任务。 - An ab initio MO study of the hydrogen bond complex between cyclobutane and hydrogen fluoride
糖苷键[合]，苷键[合]环丁烷与氟化氢形成氢键络合物的从头算研究 - Photodissociation Dynamics Study of Butadiene Molecular and Ab Initio Study of Hydrogen-bond Cluster
丁二烯分子的光解动力学及氢键团簇的理论计算研究 - Spin-Orbit Ab Initio Calculation of Photodissociation of Methyl Iodide
CH3I分子的光解离的自旋&轨道从头计算 - Study of Phycocyanobilin and Glycine Using ab Initio and Monte-Carlo Based Molecular Mechanics
从头算结合基于分子力学的蒙特卡洛方法对藻蓝色素与氨基乙酸的研究 - Theoretical Study on Hydronium Ion Clusters by ab initio Calculation and ABEEM/ MM Model
水合氢离子团簇从头算和ABEEM/MM的理论研究 - The ab Initio and Dynamics Study of Triatomic Reaction System
三原子体系反应的从头算及动力学研究 - In chapter two, the basic principle of the molecular orbits ab initio and the theory of the inelastic scattering are presented.
第二章阐述了分子轨道从头算方法的基本原理和非弹性散射计算的基础理论。 - Quantum Chemistry Ab Initio Calculation of Vibration Spectrum of β-elemene
β-榄香烯振动光谱的量子化学从头计算 - Ab Initio Studies on Some Borane Ions and Their Derivatives
一些硼烷离子及其衍生物的理论研究 - The Photodissociation Mechanisms of Acrylonitrile: Ab Initio Calculations on Reaction Channels and Surface Intersections
丙烯腈的光解离机制：反应路径和势能面交叉的从头计算 - ABEEM/ MM model and ab initio method has been applied to study the best way of adding one or two water molecules on small water clusters.
本文应用ABEEM/MM模型和从头计算方法，研究了对小型水分子团簇添加几个水分子的最优方式。 - 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。 - Ab initio simulation on thermodynamic equation of state of fcc aluminum under high temperature and pressure
从头算方法研究面心立方铝在高温高压下的热力学状态方程 - Ab initio calculations have been performed for both the neutral form and zwitterion of imidazol1ylacetic acid in the gas phase and in aqueous solution ( using SCRF model).
对咪唑-1-乙酸中性分子和两性离子分别在气相及水溶液中（采用SCRF模型）进行了从头算，探讨了溶剂和基组对体系几何结构和相对稳定性的影响。 - Ab Initio Investigation of Phase Transitions of Solid Iodine and Ammonia under High Pressures
碘和氨在高压下结构相变的第一性原理研究 - Ab initio studies on the reaction mechanism of [ 2+ 2] cycloaddition of ketene with ethylene and acetylene
烯酮与乙烯或乙炔的[2+2]环加成反应机理的从头计算研究 - An ab Initio Study of Conjugated Carbon Materials Interaction with Lithium or/ and Hydrogen
共轭碳材料与锂的相互作用及氢吸附的从头算研究 - Ab Initio Intermolecular Potential of Hydrogen Sulfide and the Properties of Liquid and Solid: A Monte Carlo Study
硫化氢的从头算分子间相互作用势及其液态和固态性质的蒙特卡罗研究 - Studies on the Hydration of Adenine in Terms of Ab Initio and ABEEM/ MM Fluctuating Charge Molecular Force Field
应用从头计算和ABEEM/MM浮动电荷分子力场研究腺嘌呤的水合作用 - The asymmetric reduction mechanism of p-methylcyclohexanone by sodium borohydride was investigated with ab initio calculations.
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。