分子间相互作用

PLLA/PVA/PLCA三元共混体系分子间相互作用

Molecular Interaction in PLLA / PVA / PLCA Blend System

溶剂中难溶性药物硝基安定与辅料的分子间相互作用

Molecular Interaction in Solvents Between Water Insoluble Drug Nitrazepam and Pharmaceutical Excipients

以DNA为一方的分子间相互作用的毛细管电泳研究

Studies of DNA Based Interactions by Capillary Electrophoresis

高级量子化学从头计算法研究N2和H2O分子间相互作用

High Level Ab Initio MO Study on the H_2O Interacting with N_2

根据C（60）晶体升华焓的实验值求得了C（60）分子间相互作用势的解析表达式。

An analytic interaction potential between C_ ( 60 ) molecules is obtained by using the experimental sublimation enthalpy .

3-硝基-1,2,4-三唑-5-酮与NH3及H2O分子间相互作用的理论研究

Theoretical Study on Intermolecular Interactions of 3-Nitro-1,2 , 4-triazol-5-one with NH_3 and H_2O

DFT理论研究磷酸与水分子间相互作用

DFT Theoretical Study on the Intermolecular Interaction of Phosphoric Acid and Water

推导出实际气体的吸附等温方程式，并指出当忽略分子间相互作用时，它就变成BET吸附等温式。

We also point out that it become the adsorption isotherm equation of BET , when intermolecular forces can be negligible .

酵母双杂交系统用于TPO分子间相互作用的研究

Study on interactions between TPO molecules tested with yeast two-hybrid system

本文用FTIR研究了甲基氰乙基纤维素/二氯乙酸溶液相转变过程中分子间相互作用的变化。

The molecular interactions in the methyl-cyanoethyl cellulose / dichloroacetic acid solution are studied by Fourier transform infrared spectroscopy ( FTIR ) .

脱色剂与活性染料的分子间相互作用新型高效絮凝脱色剂DF的合成和印染废水的处理

INTERACTION BETWEEN MOLECULES OF DECOLORANT AND REACTIVE DYES Synthesis of Novel High Efficient Flocculant Decolorant DF and Its Application

氮杂杯[6]芳烃与HMX分子间相互作用的密度泛函研究

Density Functional Theory Studies on Intermolecular Interaction of Aza-calix [ 6 ] arene with HMX

包括最基础的Langmuir模型，该模型完全忽略吸附质分子间相互作用。

The most bole approach to absorption is the Langmuir model , which completely neglect the interactions between absorbing molecules .

用规则溶液模型可以预测相图中的液相线，分析了液相线方程中分子间相互作用能ue的作用和物理意义。

The roles and characteristics of interaction energies in the equations of liquidus lines were analysed .

RDX的电子结构和热解机理及Ar-N2，H2O-H2O分子间相互作用势的从头算研究

Ab Initio Study of the Structure and Decomposition of RDX and the Intermolecular Potential of Ar-N_2 and H_2O-H_2O

在聚合物溶液中，反映分子间相互作用参数的第二维利系数（A2）也随着多酚的加入和共聚物中的VP含量的减少而相应下降，表明络合物及共聚物的水溶性随之减少。

The second Virial coefficient ( A2 ) decreased with a decreasing content of VP in copolymers as well as adding polyatomic phenol in solution .

CH3Cl分子间相互作用的理论研究

Theoretical Study on the Intermolecular Interaction of CH_3Cl

结果：在设计合成的4条反义肽中，筛选出一条反义多肽（R4），其与C5a分子间相互作用的解离平衡常数值（KD）o662×10-6mol/L；

Results : There is one piece of anti-sense peptide ( R4 ) being screened from these four synthesized peptides .

高能体系分子间相互作用研究&含NNO2和NH2混合物

A Study on the Intermolecular Interactions in Energetic Systems & The Mixtures Containing NNO_2 and NH_2 Groups

在模拟过程中，通过引入反映扩散分子间相互作用的参数，计及扩散过程中被吸附分子之间的作用力，得到较常规的KMC方法更为准确的结果。

During the simulations , various parameters were introduced in order to calculate the intermolecular interactions .

目的观察生物分子间相互作用动力学、亲和力及特异性，研究C5a与其反义肽的相互作用规律。

Objective The kinetics , affinity and specificity between the human C5a anaphylatoxin and it 's antisense peptide R4 was observed .

分析气体时采用集团展开的方法得到维里系数，进而求得CV的表达式，得到分子间相互作用对定体热容的贡献为O（T2）项。

The author gains virial coefficient through adopting cluster expansions at gas , then derives C V , and concludes that the contribution of interaction between molecules to specific heat is O ( T 2 ) .

瑞典BIACORE公司新近推出了用于生物分子间相互作用日常分析的新型号仪器，BIACOREJ。

The recently released platform from Biacore AB ( Uppsala , Sweden ), BIACORE J , is designed for the routine analysis of biomolecular interactions .

经MP2电子相关和基组叠加误差（BSSE）以及零点能（ZPE）校正，求得分子间相互作用能；

The intermolecular interaction energy is calculated with MP2 electron correlation correction , basis set superposition error ( BSSE ) correction and zero point energy ( ZPE ) correction .

在十二烷基苯磺酸钠水溶液中，吖啶橙与罗丹明6G染料分子间相互作用发生有效能量转移。

It was found that in the solution of dodecyl benzene sulfonic acid sodium ( DBS ), effective energy transfer can occur ( between ) AO and rhodamine 6G even when the concentration of the dyes is very low .

光学SPR生物传感器对生物分子间相互作用的动力学分析具有重大意义，监测生物分子间的响应速率和亲和性将有助于蛋白质功能的分析、药物的开发、基因组学和蛋白质组学的研究等。

Compared to the traditional analysis method , the kinetic analysis of biomolecular interaction using this SPR biosensor has a great significance to monitor the response rate and affinity of biomolecular interaction in analyzing the protein function , drug discover , genomics and proteomics research .

用量子力学修正的WCA液体变分微扰理论计算了液氦冲击压缩曲线，计算中体系分子间相互作用势选择EXP6有效两体势模型，两体势参数通过对实验数据的拟和优选。

For liquid helium , the modified WCA liquid perturbation theory was used to calculate Hugoniot curve using EXP-6 reference potential . The theory is generalized to include quantum effects by adding the first term of Wigner-Kirkwood expansion .

针对拟有序层模拟的具体特点，在常用的描述不同种类分子间相互作用的Lorentz-Berthelot势函数基础上，提出修正的固体分子和液体分子的作用势模型。

The main contents of the dissertation are as follows : The modified Lorentz-Berthelot model describing the interaction of different types of particles is proposed in order to address the specific problems in simulating ordered liquid film .

润滑油膜防护性能与润滑添加剂分子间相互作用能的关系研究

Study on the relationship between the protective ability of lubricant oil

分子间相互作用的量子化学研究&Ⅱ.芳烃超分子

Quantum Chemistry Study of Intermolecular Interaction & ⅱ . Aromatic Supermolecules