闭壳层

The lowest energy wavefunction is a singlet biradical instead of a closed shell singlet.

1最低能量波函数是单重态的双自由基而不是闭壳层的单重态。

Weak formulation of equilibrium equations including boundary conditions of laminated cylindrical shell is presented, thermal stresses mixed equation of closed continuous cylindrical shell is established.

建立了弹性力学基本方程的弱形式，从而得到叠层连续柱壳混合状态方程和边界条件放在一起的算子方程，扩大了求解的空间，给出了叠层连续闭口柱壳在热荷载和机械荷载作用下的解析解。

The closed shell HF SCF calculations have been carried out for the electron transfer systems corresponding to different values of R, then the Koopmans' theorem is applied to estimate the energy level splitting △, and the relatonship between △ and R has been obtained.

对该电子转移体系进行闭壳层的单点计算，并用Koopmans定理计算了体系的分裂能△，得到△随线性反应坐标R的变化关系。

An intensive electron delocalization was found in these 2 clusters.

本文用闭壳层CNDO/2法计算了它们的电子结构。

This study shows that there are 4 kinds of volcanic facies in deep volcanics in north Songliao Basin: eruptive facies, overflow facies, volcanic vent facies and volcanic sedimentary facies. There are 4 volcanic eruption cycles: Huoshiling period, Shahezi period, Yingchengzi period and Quantou period. There are 4 structural evolution stages: north-south accumulation, west-east subduction, uplift mantle and thin crust, alternative open and close. There are 4 kinds of pool-forming patterns:(1) pattern with the migration along the unconformity and fault to the near crater;(2) pattern with the migration along unconformity and fault to the rift margin;(3) pattern with the migration along unconformity, fault and fracture to the source rock;(4) pattern with the migration of the deep gas along the deep and large fault to the volcanic trap.

研究认为，松辽盆地北部深层火山岩主要存在四种火山岩相：即爆发相、溢流相、火山通道相、火山沉积相，划分为四个火山喷发旋回：即火石岭期、沙河子期、营城子期、泉头期，经历了四个构造演化过程：即南北夹攻、东西俯冲、幔隆壳薄、开合交替，具有四种成藏模式：即沿不整合面和断层运移至近火山口处火山岩圈闭聚集成藏模式、沿不整合面和断层砂岩疏导层运移至断陷边部火山岩圈闭聚集成藏模式、沿不整合面及断层、裂缝运移至源岩区内凹中隆火山岩圈闭聚集成藏模式、深部无机成因天然气沿深大断裂运移至火山岩圈闭聚集成藏模式。

The inner reorganization energy and the exothermicity of the reaction are then determined. Closed shell HF SCF calculations have been carried out for the systems Tryptophy1-Tyrosine and Tyrosyl-Tryptophan for different values of R, and the Koopmans^,theorem is invoked to estimate the energy level splitting A.From the obtained A~m~i~n, the values of electron transfer matrix element V~D~A are determined to be 0.96kJ. mol^-^1 and 0.87kJ.mol^-^1 for Tryptophyl-Tyrosine and Tyrosyl- Tryptophan, respectively.

对色氨酰酪氨酸和酪氨酰色氨酸体系进行闭壳层HF自洽场计算，按Koopmans定理计算体系分子轨道分裂能值A，在R约为0处发现了A的极小值，从而获得色氨酰酪氨酸及酪氨酰色氨酸体系分子内电子转移的电子转移矩阵元V~D~A分别为0.96kJ.mol^-^1和0.87kJ.mol^-^1。

This is the first report of pectenolone and pectenoxanthin, two types of carotenoid, in the muscle of the Yesso scallop.3 Roles of the carotenoids composition and accumulation in Yesso scallopThe method for detecting carotenoids using reverse phase high performance liquid chromatography was developed. The conditions of RP-HPLC analysis were an analytical scale (200×4.6 mm, inner diameter 5μm) Eclipse XDB-C18 column of Agilent corporation; 10μl injection volume; 25°C column temperature; acetonitrile, methanol and methylene dichloride mobile phase (40:56:4, V/VV) with 0.1% BHT; 1.0 ml per minute flow rate; 450 nm UV-VIS detector; 8 minutes elution.The carotenoids from orange muscle of Yesso scallop of 7, 10, 12, 15, 18, 22 months old was detected using the method refered above.

通过柱层析、高效液相等手段对橘红色闭壳肌中的主要类胡萝卜素进行了提取分离，分离提纯得到两种类胡萝卜素，并通过MS、~1H-NMR和~(13)C-NMR对其进行结构鉴定，结果表明(3S，3\'R)-3，3\'-dihydroxy-7\'，8\'-didehydro-β，β-Caroten-4-one和(3S，3\'S)-7，7\'，8，8\'-tetradehydro-β，β-Carotene-3，3\'-diol，俗称pectenolone和pectenoxanthin是橘红色闭壳肌中的主要类胡萝卜素，这是国内外首次对虾夷扇贝闭壳肌中的类胡萝卜素进行提纯及结构鉴定。3虾夷扇贝类胡萝卜素的种类组成和累积变化规律建立了橘红色闭壳肌中类胡萝卜素的HPLC分析定量检测技术：色普柱为Agilent公司的Eclipse XDB-C18柱200mm×4.6mm，i.d.5μm进样体积，5μl ；流速1ml/min；检测波长450nm；柱温25℃；流动相为乙腈：甲醇：二氯甲烷(V/V/V=40：56：4并加入0.1%的BHT；分离时间为8min。

Neither the killing of Mr Zarqawi nor any breakthrough on the political front will stop the insurgency and the fratricidal murders in their tracks.

在对危险的南部地区访问时，他斥责什叶派民兵领导人对中央集权的挑衅行为。

In fact,I've got him on the satellite mobile right now.

实际上 我们已接通卫星可视电话了