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The results indicated that the high level density functional theory calculations can be used to predict the 13C chemical shifts of the modified nanotubes. The calculated results also provided the characteristic chemical shifts values of nitrene (superscript -), carbene (superscript -) and 1,2- and 1, 4-fluorinated nanotubes, which would be helpful for experimental spectrogram assignments. Combined with NMR experiments, these predicted characteristic chemical shifts can be further used to monitor the addition mechanism and the extent of surface modifications on nanotubes.
研究表明高精度的密度泛函理论计算能够用来预测纳米管的13C化学位移,理论研究的结果揭示了氮烯、卡宾以及1,2和1,4氟化的单壁纳米管的若干13C信号特征化学位移值,为实验NMR谱图的归属提供了一定的依据,并且可通过与实验相结合来监测表面官能化碳纳米管加成反应是否发生以及确认其加成方式。
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The phase-shifts caused by reflection and transmission of the beam splitter were investigated by its eigen-martix.The general relationship between these phase-shifts of two splitted beams used for coherent combining was obtained,then the fact that when constructive interference occurs in one side of the beam splitter and the destructive interference has to occur in the other side was explained in the point of phase-shift.
利用分束器的特征矩阵研究了分束时产生的反射与透射相移,得到了两束相干光经过分束器分束后进行相干叠加时相移满足的普适关系,从相移的角度解释了分束器一侧发生相长干涉时另一侧必然发生相消干涉这一现象。
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The relationship between molecular modification of erythromycin and NMR chemical shifts was summarized. It's noticeable that downfield of shifts of H-3 (△δ 0.2) after silylation and upfield of shifts (△δ-0.4) after methylation. No changes were observed after methylation.
分析总结了红霉素分子修饰与核磁共振化学位移变化之间的关系,并且发现大环上H-3硅烷化后由高场移至低场(△δ为0.2),甲基化后又由低场移至高场(△δ为-0.4),变化均较大;而且一旦甲基化后H-3化学位移在高场几乎不再变化。
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show that multi-wavelengths laser output can be achieved through increasing phase-shifts number and the laser wavelength varies with phase-shifts magnitude in multi-phaseshifts fiber grating with equidistance.
结论表明:等分相移光栅可以通过增加相移个数来实现多波长的激光输出,相移量不同激光波长的输出也不同。
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The Yellow River course shifts and subdelta formation are analyzed first, and the finger-shaped geomorphology system caused by the river course shifts is also analyzed systemically. The environmental factors such as meteorology, hydrology, DEM , vegetation, soil, soil salt content, and exploitation are all described and discussed.
综合分析了1855年以来黄河流路变迁和亚三角洲的发育演化,以及在此控制之下形成的三角洲指状骨架地貌体系;对黄河三角洲的气象、水文、地形、植被、土壤、含盐量等环境背景特征以及人类开发活动进行了深入探讨和分析。
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On the other hand, when the tropical western Pacific is in a cooling state in spring, convective activities are weakened around the Philippines. In this case, there is an anticyclonic anomaly circulation in the lower troposphere over the South China Sea, and the western Pacific subtropical high shifts westward, thus, the late onset of the SCSM can be caused. Moreover, when the tropical western Pacific is also in a cooling state, convective activities around the Philippines are also weak in summer, since the abrupt northward-shift of the western Pacific subtropical high is not obvious in mid-June and early July and it gradually shifts northward during its northward advance in this case, the East Asian summer monsoon rainband can be maintained in the Yangtze River and the Huaihe River valleys.
相反,当春季热带西太平洋处于冷状态,菲律宾周围对流活动弱,在这种情况下,南海上空对流层下层有反气旋性距平环流,西太平洋副热带高压偏西,从而使得南海夏季风爆发晚;并且,当夏季热带西太平洋也处于冷状态,菲律宾周围对流活动也很弱,在这种情况下,西太平洋副热带高压北进时,在6月中旬或7月初向北突跳并不明显,而是以渐进式向北移动,从而使得东亚季风雨带一直维持在长江流域和淮河流域。
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The results show that when the tropical western Pacific is in a warming state in spring, convective activities are intensified around the Philippines. In this case, there is a cyclonic anomaly circulation in the lower troposphere over the South China Sea, and the western Pacific subtropical high shifts eastward, thus, the early onset of the South China Sea summer monsoon can be caused. Moreover, when the tropical western Pacific is also in a warming state, convective activities around the Philippines are also strong in summer, since the western Pacific subtropical high abruptly shifts northward in mid-June and early July during its northward advance in this case, the abrupt northward-shift of the East Asian summer monsoon rainband from South China to the Yangtze River and the Huaihe River valleys is obvious in mid-June and this monsoon rainband again jumps northward from the Yangtze River and the Huaihe River valleys to the Yellow River valley, North China and Northeast China in early July.
分析结果表明:当春季热带西太平洋处于暖状态,菲律宾周围对流活动强,在这种情况下,南海上空对流层下层有气旋性距平环流,西太平洋副热带高压偏东,从而使得南海夏季风爆发早;并且,当夏季热带西太平洋也处于暖状态,菲律宾周围对流活动也很强,在这种情况下,西太平洋副热带高压北进时,在6月中旬和7月初存在明显的突跳,从而使得东亚季风雨带在6月中旬明显由华南北跳到江淮流域,并于7月初由江淮流域北跳到黄河流域、华北和东北地区。
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The former shifts equatorward when AE increases, just as the auroral oval does; the latter is divided into two sections: the midnight section shifts poleward when AE increases, while the morning section shifts equatorward.
在亚暴膨胀相,随着AE指数增大,整个极光卵向赤道扩展,而极光电集流带却表现出分段差异的特点:下午—黄昏东向电集流带向低纬移动,晨侧西向电集流带也向赤道移动,而子夜—凌晨西向电集流带则向极移动。
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In this paper the aromaticity index-Nucleus-Independent Chemical Shifts of nitroaniline and nitrobenzene explosives are calculated by density functional theory, and the relationship between impact sensitivity and aromaticity is investigated.
运用密度泛函方法研究了硝基苯和硝基苯胺类炸药芳香性,首次计算了核独立化学位移(Nucleus-Independent Chemical Shifts, NICS),对其芳香性与撞击感度进行了关联。
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The structures were studied by IR and NMR. The absorption frequencies of the carbonyl group markedly depended on the coordination no. of the tin atom. The chem. shifts of 119Sn and 13C and the 1J(119Sn-13Sn) coupling constants of the compounds were determine Small structural changes around the tin atom were reflected in the 119Sn chem. shifts. For tributyltin arylcarboxylates, a relationship between 119Sn chem. shifts and Hammett constants of the para-substituents was found. The biol. activities of same compounds have been studied. They may be used as fungicides for fruit.
通过对它们的红外光谱、核磁共振谱(^1^3C, ^1^1^9Sn)的研究,表明羰基红外吸收频率与锡原子的配位数有密切关系,同样分子上的微小变化明显地表现在δ119Sn上,对位取代基苯甲酸酯的δ119Sn与苯环上取代基的Hammett常数之间存在良好的线性关系:δ119Sn=19.11σ+110.612 n=7,γ=0.9955着重研究了部分化合物在经济作物上的抗病原菌能力,结果表明,这是一类具有广谱性的有机锡化合物,抗菌活性优于对比药剂朴海因,接近或相当于多菌灵,它们同时具有较强的除草活性。
- 推荐网络例句
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The absorption and distribution of chromium were studied in ryeusing nutrient culture technique and pot experiment.
采用不同浓度K2CrO4(0,0.4,0.8和1.2 mmol/L)的Hoagland营养液处理黑麦幼苗,测定铬在黑麦体内的亚细胞分布、铬化学形态及不同部位的积累。
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By analyzing theory foundation of mathematical morphology in the digital image processing, researching morphology arithmetic of the binary Image, discussing two basic forms for the least structure element: dilation and erosion.
通过分析数学形态学在图像中的理论基础,研究二值图像的形态分析算法,探讨最小结构元素的两种基本形态:膨胀和腐蚀;分析了数学形态学复杂算法的基本原理,把数学形态学的部分并行处理理念引入到家实际应用中。
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Have a good policy environment, real estate, secondary and tertiary markets can develop more rapidly and improved.
有一个良好的政策环境,房地产,二级和三级市场的发展更加迅速改善。