Molecular Dynamics Simulation of Conformational Conversion Between Crystal Conformation and Active Conformation of Herbicidal Monosulfuron;
单嘧磺隆晶体-活性构象转换的分子动力学模拟
Vibrational study of the chain conformations of n-Nonane;
正壬烷构象的振动光谱研究
Effect of metal ions on activity and conformation of acid phosphatase from wheat germ;
几种金属离子对麦芽酸性磷酸酶活性及构象的影响
Asymmetric SynthesisⅩ Ⅵ. Study on the Relationship Between the Stereocontrolled Reaction and Structure of (+)-Camphor Imine——The Calculation on Rotational Energy and the Configuration Analysis of (+)—Camphor Benzylimine;
不对称合成 ⅩⅥ.(十)-樟脑亚胺的立体控制反应和樟脑结构的研究——(十)-樟脑缩苄胺转动势能计算和构象分析
The molecular structure, configuration and the environmental effect on the fluorescence emission of organic compounds are tremendous important.
有机化合物的结构、构象和环境效应对发光化合物的荧光发射具有重要的影响。
D NMR techniques were used to investigate the stereo configuration and conformation of the hydroxyl mesocyclic diamines and their derivatives in aqueous solution.
利用二维核磁共振技术对一类新的含羟基中环二胺及其衍生物在水溶液中的构型和构象进行了较为详尽的研究。
The geometry optimized results indicate that CH_3ONO has two equilibrium conformers and CH_3NO_2 has one minimum structure.
结构优化结果表明,CH3ONO有两种稳定的构象cis和trans,CH3NO2有一种稳定的结构。
The conformers and the vibrational spectroscopy of fenofibrate have been investigated by using density functional theory at B3LYP/6-31G~* level.
采用密度泛函B3LYP方法在6-31G~*水平上对降血酯药物非诺贝特的构象和振动光谱进行了研究,得到了非诺贝特分子的平衡结构参数,并同文献中报道的非诺贝特晶体结构进行了比较。
The stable conformers of the neutral canonical aspartic acid and its anions (H2asp- and asp2-) have been extensively searched by density functional theory (DFT).
本文采用密度泛函理论(DFT)研究了天冬氨酸中性分子H2asp及其阴离子Hasp-和asp2-稳定存在的构象,进而探讨了水介质条件下Al~(3+)与阴离子Hasp-和asp2-的作用方式,最后考察了Al~(3+)和Mg~(2+)与天冬氨酸作用的竞争过程,在理论上揭示了Al~(3+)对Mg~(2+)生物进程的破坏作用。
In this paper, using ABEEMσπ model we calculated the hydrogen-bond energies of different cis-hydroxyl acrylic acid conformers, explained and predicted their stabilities based on the corresponding relationships between the effects of hydrogen-bonding and the molecular stabilities.
本文利用该模型计算了顺式丙烯酸不同构象的氢键值。
Vibrational assignments were made for the three most abundant conformers of 3 ethylpentane with the aid of normal coordinate calculations.
通过正交坐标计算与红外和拉曼光谱的对比分析 ,确定 3 乙基戊烷分子可以很多种空间构象存在 ,其中存在量最大的是 3种空间构象 :Cs,C1,C3 ,并通过分子力学和量子力学半经验方法的计算 ,得到这 3种稳定构象的相对能
The mechanism of bipyridine conformational isomerization was studied and the geometric parameters of transition states were located by B3LYP/6-311G~(**).
之后采用B3LYP/6-311G**方法对处于势能面上的能量极小构象异构体进行全自由度几何优化和频率分析,并且寻找构象异构化过渡态。
comformational switch
构象转换（器），构象开关
They are said to be conformational isomers also called conformers.
它们叫做构象异构体，也叫做异象体。
multivalent allosteric inhibition
多价变构象抑制作用
conformational statistics of macromolecular chains
高分子链的构象统计
Solution Conformation of Opiorphin;
Opiorphin溶液构象的初步分析
The preferred conformations of the ring skeletons of most compounds are [3333]-2-one.
(2)母环骨架构象大多数仍保持[3333]-2-酮构象。
The phenomenon of the existence of isomers.
同分异构现象存在同分异构体的现象
Construction of Image in Babel and Deconstruction of Women's Image
《通天塔》意象的建构和女性形象的解构
Translation·Imagination·History--The Imagination and Construction of Translation to the image of China
翻译·想象·历史——翻译对中国形象的想象与建构
Composed or constructed of ivory.
象牙制的由象牙构成或者组成的
To form a mental image of;visualize.
构想，想象使…形成视觉形象
Image and Abstract in Form of Museum;
意象与抽象——博物馆建筑形态构成初探
Reconstructing Impressionism: Four Periods and Two Revolutions;
重构印象主义:印象四期与二次革命
On the Specific Figure Constitution Expression in the Specific Figure Design Sketch;
浅谈具象设计素描中的具象构成表现
Modern Review of Image and Its Construction of the Jiu Ye School;
意象的现代回顾及九叶派的意象建构
DISCUSSION ON THE TIE OF IMAGE EMERGENCE IN MODERN CERAMICS-IMAGINATION;
论现代陶艺中构建意象的纽带——想象
enol keto tautomerism
烯醇 酮互变异构现象
video horizontal line format
图象信号行编码结构