理论优化表明，三个吡啶甲酸分子都具有平面的平衡构型。
Theoretical optimizations show that the equilibrium geometries of the three picolinic acid molecules are planar.
研究人员首先在单晶体TiO2平面上制作一层或两层的单分子硒化铅量子点。
The researchers began by making samples of one or two monolayers of PbSe quantum dots deposited on flat single-crystalline TiO2.
分子共平面，共轭作用强，对增大二阶光学非线性有利。
Coplanar molecules having stronger conjugation effects facilitate the nonlinear second-order optical susceptibilities too.
本文借助分子动力学模拟研究了极高应变率下固体铜和液体铜由平面冲击导致的断裂。
MD simulations are carried out to study spallation in solid and liquid copper incuded by planar shock loading at exteme strain rates.
二套基组的理论优化表明，三个吡啶甲酸分子都具有平面的平衡构型。
Theoretical optimizations with both basis sets show that the equilibrium geometries of the three picolinic acid molecules are completely planar.
例如，我们可以模拟，在一个平面很小的一部分上大约有100个水分子，或者在一个有着很明确的缺陷的表面。
For instance, we can model a few hundred water molecules on a small segment of a flat surface or a surface with some very well-defined defects.
扭曲构象为较好的发光构象。分子受激后，平面构象可经旋转松弛到扭曲构象。
The twisted conformation was favorable for luminescence, and the excited coplanar molecule could relax to the twisted conformation.
该分子具有大的TPA截面是起源于该分子的刚性平面共轭结构所固有的线性吸收特性和TPA共振增强；
The large TPA cross section may result from the intensive linear absorbance of the molecule due to its conjugate rigid plane structure, and the two-photon resonance excitation condition.
他们无一例外地相信平面设计师应该是最知识分子的一群人。
They unanimously believe that graphic designers are among the most intellectual individuals.
在珠穆朗玛峰的山顶，海拔在8848米的地方，那里的空气中所包含的氧分子比它在海平面的三分之一还要少。
At the top of Mt Qomolangma, at 8848 metres above sea level, a lungful of air contains less than a third as many oxygen molecules as it does at sea level.
采用CIS方法研究体系的激发态情况，发现给体的给电子能力和分子平面性共同决定激发能的大小。
The excited states were also investigated by using CIS method, the transition energy was determined by the ability of donor giving electrons and the molecular plain.
每个分子中所有的碳原子和氮原子都在同一个平面上，表明这两个分子都是共轭芳香性分子。
All the atoms in each molecule are coplanar, indicating the whole molecules is fully delocalized and conjugated.
结果表明，苯环上取代基的种类及位置对化合物分子的共轭体系及共平面程度有较大影响。
The results indicate that the kind and position of the substituents in aniline ring greatly affected the conjugation system and coplanarity of the products.
主要观察指标：嗅茎后份平面的细胞密度，横截面积和唾液酸-神经细胞黏附分子的表达。
MAIN OUTCOME MEASURES: The cellular density and cross section area of RMS, the expression of polysialylated neuronal cell adhesion molecule (PSA-NCAM)RESULTS: Totally 25 SD rats were recruited.
设计将扭曲、非共平面的杂萘联苯结构引入聚芳酰胺亚胺的大分子主链，获得了耐高温、可溶解的新型聚芳酰胺亚胺。
A series of new aromatic poly(amide imide)s PI-P IV containing phthalazinone moieties are synthesized from the novel diamines I - IV by direct Yamazaki polycondensation.
结果表明，在不同基组水平上，由MP2，QCISD，B3LYP方法均能得到草酰碘分子的交叉式构型和平面反式构型，与实验所得草酰卤化物的构型完全相符。
The result shows that MP2, QCISD, B3LYP can gain the gauche and anti conformers of oxalyl iodide, which is in good agreement with configuration of oxalyl halides in experiment.
结果表明5，6，9，10-四脱氢苯并环辛烯分子平面刚性结构，可能稳定存在，但由于苯环共轭性的削弱和较高的张力，使得它易于分解。
Because of the weakened conjugated actions between the carbon-carbon double bonds in the benzene ring and its strong strain in molecule, 5,6,9,10- tetradehydrobenzocyclooctene decomposes easily.
在室温和海平面压力下，一立方米体积内空气所含的分子数目将达到1025个。
The number of molecules in a cubic meter of air at room temperature and sea-level pressure is about 1025.
在室温和海平面压力下，一立方米体积内空气所含的分子数目将达到1025个。
The number of molecules in a cubic meter of air at room temperature and sea-level pressure is about 1025.
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