1、

AB effect in magnetic field and its theoretical explanation

磁AB效应及其理论解释

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2、

Investigation on the alkane VDW parameters derived from high level ab initio calculation with test particle method. The purpose of this work is to solve the parameter coupling problem and multi-solution problem in the parameter fitting process of the existing force fields.

研究了从高水平的第一原理计算出发,采用试探粒子法,系统的推导烷烃分子范德华参数的方法,以克服现有力场范德华参数拟合中的参数耦合问题和多解问题。

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3、

Theoretical calculation has been performed for the solvent effect and charge-separated excited state between tetracyanoethylene ( TCEN) and tetramethylethylene ( TME) by use of the ab initio method at the level of HF/ 6-31++ G and CASSCF ( 8,8)/ 6-31G.

用从头算方法,在HF/6-31++G和CASSCF(8,8)/6-31G基组水平上对四氰基乙烯与四甲基乙烯间电子转移的溶剂效应及电荷分离激发态进行了理论计算与研究。

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4、

Theoretical Study on Tetrazole and Its Derivatives ( 9)& ab initio MO and Thermodynamic Calculations of Cyano Derivatives of Tetrazole

四唑及其衍生物的理论研究(9)&腈基四唑衍生物的AB INITIO和热力学计算

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5、

To make ( a word) by derivation or composition. Theoretical Study on Tetrazole and Its Derivatives ( 8) Ab initio Study on Nitramino Derivatives of Tetrazole

衍生用派生法或复合法构(词)四唑及其衍生物的理论研究(8)硝氨四唑衍生物的从头算

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7、

It is of great interest in computational and theoretical chemistry to investigate the chemical reactions and determine the reaction mechanism by using ab initio quantum chemistry calculations recently.

目前,利用量子化学从头算来研究化学反应,确定化学反应的机理是理论和计算化学的一个重要课题。

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8、

Results: The yield of F ( ab ′) 2 was 54%, about 80% of the maximal theoretical yield.

结果:(1)片段F(ab′)2的产率为54%,为最大理论产率的80%。

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9、

This paper explains technological process, processing features, crucial technological measure and points of quality control of gray polyester/ viscose AB yarn, found that to optimize spinning process is very important in order to improve quality of AB yarn.

阐述了本色涤粘AB纱的生产工艺流程、工艺特点以及所采取的关键技术措施和质量控制要点,认为提高AB纱质量的重点是细纱工艺的优化。

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10、

Functional Reaction of the Terminal Hydroxyl Groups on the AB_2 Type Hyperbranched Poly ( amine-ester) with Acetic Oxide

AB2型超支化聚(胺-酯)活性端羟基与乙酸酐的功能化反应

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11、

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

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12、

Ab initio theoretical study of the hetero Diels-Alder reactions of 1,3-butadiene and furan with thioformaldehyde

1,3-丁二烯及呋喃与硫甲醛杂Diels-Alder反应的理论研究

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13、

Simulation of Logical Threshold Control Method of Automobile-ABS Improved image denoising algorithm of PDEs based on fuzzy logic

汽车ABS逻辑门限控制改进算法的仿真改进的模糊逻辑偏微分方程去噪方法

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14、

AB method is much advanced in monitoring the thickness. Through the switch of monitoring glass and appropriate choice of wave length, stop point of each layer was located in sensitive position.

AB法是一种比较先进的监控方法,通过变换监控片和移动监控波长,把每层膜的镀制停点选择在灵敏位置。

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15、

Ab initio DFT/ B3LYP calculations at 6-31G basis set level were carried out for the possible product radicals of attacked thymine by · OH.

采用密度泛函(DFT)理论中B3LYP方法在6&31G基组水平上对胸腺嘧啶(thymine,简写为“T”)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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16、

Changes of the Yangtze River estuary since 6000 ab. P. estimated from tidal energy flux change

从潮能通量变化看6000a以来长江口的迁移

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17、

In this work we present the detailed results about the studies of the multiphoton ionization of ammonia-alcohol clusters, which were performed by using a molecular beam, the laser multiphoton ionization and a time-of-flight mass spectrometer as well as ab initio calculations.

本论文中,作者通过激光、分子束和飞行时间质谱并结合从头算理论对氨与醇的二元氢键团簇的多光子电离作了系统的研究。

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19、

An ab Initio Study of Vibrational Spectra of Nitrous Acid Isomers

亚硝酸异构体振动光谱的从头计算研究

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20、

Loss rate of sinomenine by AB 8 type macroporous resin absorption was the lowest and reached 6.39%, and that by ceramic membrane microfiltration was 15.31%, less than that by ultrafiltration, alcohol sedimentation, centrifugalization and flocculation.

青藤碱损失率以AB8树脂法最低(6.39%),而85%乙醇沉淀法最高(58.44%)。陶瓷膜微滤法损失率为15.31%,小于超滤、醇沉、高速离心和絮凝。

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