把复合物看作一个超分子，在B3LYP/6- 3 11G（d ，p）的水平上进行密度泛函法计算，并运用完全均衡校正法进行基组超位误差校正（BSSE） 。
The complexes were considered as supermolecules and calculated with DFT method at B3LYP/6-311G(d, p) level, and the basis set superposition error (BSSE) was corrected by the counterpoise method.
这场胜利使他们连超三个队，跃居第二位。
The win allowed them to leapfrog three teams to gain second place.
有这样一个故事：两位闻名于世、技艺高超的人，席超和他的儿子制作出了一种高质量的墨。
A story goes like this: Two famous skilled men Xi Chao and his son produced a kind of high-quality ink stick.
1965年，一位想象力丰富的数学家欧文·古德推测说，人们终会发明出一台“超智能机器”，不管是多聪明的人，它都能远超其智力活动的总和。
In 1965, an imaginative mathematician called Irving Good predicted the eventual creation of an "ultra-intelligent machine…that can far surpass all the intellectual (智力的) activities of any man, however clever".
负责调查第一轮选举舞弊情况的选举投诉委员会仅仅检查了选举人数超600人的投票站或者是只投给一位候选人的票数超过95%的投票站。
The Electoral Complaints Commission (ECC), which investigated the first-round fraud, only looked at polling-stations where 600 or more votes were cast or at least 95% went to one candidate.
UCS是ISO 10646标准定义的所有已知字符集编码的多字节(31位)超集。
UCS is the multibyte (31-bit) superset of all known set encodings defined by the ISO 10646 standard.
布莱恩·葛林可能是超弦理论的支持者中最著名的一位了，超弦理论认为宇宙中的力和粒子是由11维空间中振动的微小的弦产生的。
Brian Greene is perhaps the best-known proponent of superstring theory, the idea that minuscule strands of energy vibrating in 11 dimensions create every particle and force in the universe.
据英国《每日邮报》报道，一位摄影家日前在北极斯瓦尔巴德群岛拍到一只超有表现欲的好客北极熊，当一艘游艇经过它家附近时，它从雪窝中爬出来，向过往的人们挥掌执意。
A friendly polar bear loving nothing more than an audience and climbing out of his snowy bed to give a cruise ship a wave was caught on camera by a photographer, the Daily Mail of London reported.
牛宪锋，中华抢救流失海外文物专项基金副总干事，他在新闻发布会上称蔡铭超是一位“令人钦佩的公民”。
Niu Xianfeng, deputy director of the fund, described Cai as an "admirable citizen" at the news conference.
1838年，南澳大利亚州阿德莱德港的一位会计将它称为“苦难之港”，“任何不幸和不快”都超不过它。
An 1838 account of Port Adelaide in South Australia described it as Port Misery, unsurpassed in "everything that is wretched and inconvenient."
小组的一位成员沃尔特，分析了他所持有的样本，在1979年作出了结论，指出肖像实际上是由数十亿个超微末微料色素染成的。
Walter McCrone, a member of the team, upon analyzing the samples he had, concluded in 1979 that the image is actually made up of billions of submicron pigment particles.
而与赋存超大型镍铜硫化物矿床的金川岩体相比，煎茶岭超基性岩体为岩浆一次侵位形成，分异程度小，镍、硫含量较低。
However, compared with jinchuan ore - bearing intrusion, jianchaling ultrabasic intrusion formed by magma simple emplacement, and magma fractionated weakly with lower content of nickel and sulphur.
你也是一位超感警探。
一个例子就是：春娇同意与一位据称长得超像中国版罗伯特特•帕丁森——黄晓明的男人相亲。
An example of this is when Cherie agrees to a blind date with a man whom she is told looks like Robert Pattinson's Chinese counterpart Huang Xiaoming, but suddenly gets sick.
超精密数控车床加工精度的提高不仅依赖于数控装置的运算速度和曲线的拟合精度，同时还依赖于伺服系统的跟踪精度和点位控制精度。
The manufacture precision of super exactitude NC lathe depends on not only the operation rate of NC deviceand joined precision, but also the error of track and point location about servo system.
论述了近年来国际上较为活跃的超分子化学领域，在配位化合物的分子设计和性质研究等方面的重要应用。
The investigations of recent progress in the fields of design and synthesis of supramolecular coordination compounds, as well as their applications, are reviewed in the text.
压缩比达到了1.9以上，与其它超光谱图像压缩算法相当。位平面变换算法具有很好的并行性。
The compression ratio of algorithm is more than 1.9. The compression algorithm based on bit plane transform can be realized by parallel computing model.
超铀元素与地下水中可能存在的无机及有机配位体的络合会影响它们在水中的浓度及其迁移行为。
The complexation of TRU element with inorganic or organic agents may have impact on their concentrations in groundwater and their migration behavior.
超塑性变形的微观机制是以晶界滑动为主，晶内变形以及位错蠕变起了协调作用。
The principal superplastic deformation mechanism for the alloy is boundary sliding, assistant ones are deformations inside the grains and dislocations creep.
本研究为今后选择合适的辅助分子与合成肽技术共同组建一种有效的探找超抗原T细胞表位的方法奠定了基础。
This study paved the way for choosing a reasonable assistant molecule with the synthetic peptide technique to establish a new method for localizing t cell epitopes on superantigens.
假如你去问一位心理学家，他可能会说这是一种超感知觉，或者称之为“ESP”。
If you asked a parapsychologist, he might say you have extrasensory perception, or ESP.
方法：222例均先作选择性或超选择性造影，对没有显示病变或显示病变不完全的病例加摄斜位；
Methods:222 cases underwent selective or super-selective angiography and in the cases whose lesion was not shown or shown incompletely oblique position was taken.
材料和方法：22例均行心脏正位及左侧位食道吞钡摄片，19例经手术证实，2例经造影证实，1例经彩超证实。
Materials and Methods: 22 patients were radiographed in PA view and left lateral view with esophageal barium swallow, 19 were confirmed by operation, 2 by angiography, 1 by US doppler.
在标志位控制下，用来存放超窄数据的高存储单元将被关闭，以节省其动态和静态功耗。
At the control of an additional flag bit, the higher bits of the data cells that store VNV are closed to save its dynamic and static power consumption.
部分位点可为中国美利奴高山型超细品系培育的早期选种提供辅助依据。
These loci might be used as assistant markers for early selection in line breeding of ultra-fine wool sheep from Alpine type Chinese Merino.
楼平3井是河南油田的一口超浅层中短半径大位移水平井试验井，不但位垂比达2。
Louping well 3 is a ultra-shallow extended reach horizontal test well with medium-short radius, its displacement-TVD ratio equals to 2.
楼平3井是河南油田的一口超浅层中短半径大位移水平井试验井，不但位垂比达2。
Louping well 3 is a ultra-shallow extended reach horizontal test well with medium-short radius, its displacement-TVD ratio equals to 2.
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