The fluorescence spectra of imidazole derivatives show that the exciplexes were formed between them and acetic acid , respectively . moreover the twist intramolecular charge transfer ( tict ) state was appeared in ( a - pyridyl ) benzoimidazole -吡啶基苯并咪唑可能有分子内电荷转移的性质，而-萘基苯并咪唑和-萘基苯并咪唑表现不出来。
The intramolecular vibrational redistribution ( ivr ) and the ultrafast solvent inertial relaxation should account for the faster decay , while the slower decay is attributed to the diffusive solvent relaxation 快速弛豫过程来源于分子内振动能量再分配( ivr )和溶剂分子超快惯性弛豫动力学过程，而慢速弛豫过程对应于溶剂化的扩散分子弛豫动力学过程。
The hybrid density functional theory at ab initio level was applied to study solvent effects on geometrical structures , charge distribution , and solvatochromic shifts of 4 - nitro - buta - 1 , 3 - dienylamine molecule 摘要在从头计算的水平上，利用杂化密度泛函理论研究了溶剂对4 -硝基1 , 3 -丁二烯基胺分子的几何结构、分子内的电荷分布和电荷转移态的能量漂移的影响。
One of the most important geometric structures of a protein is the connolly surface of protein since a connolly surface plays an important role in protein folding , docking , interactions between proteins , amongst other things 特别的是，因为诸如蛋白质-配体连接中的分子内相互作用等重要生物过程是通过在蛋白质边界曲面的相互作用产生的，蛋白质的边界曲面对于蛋白质的功能尤其重要。
3 . the multiwalled carbon nanotube ( mwcnt ) bonded by 2 , 9 , 16 , 23 - tetra amino manganese phthalocyanine ( tamnpc ) was obtained and both its chemical and aggregated structures were characterized by means of ftir , uv - vis , tem , and xrd 3 .成功合成了以化学键合方式连接的四氨基酞著锰一碳纳米管分子内复合光电导材料体系，并用ftir 、 uv - vis 、 tem和xrd等手段表征了其化学结构和聚集态结构。
In this pathway , irel , an er transmembrane protein kinase / endoribonuclease , is essential for viability during er stress . in contrast to yeast , the mammalian genome contains two homologues of ire1 , irelctand ire1b , to sense the unfolded protein level 该基因的开放读码框( openreadingfiame ， orf )为1383bp ，编码蛋白的大小为50kd ，大肠杆菌ibeb基因编码的50kd前体蛋白经分子内剪切加工形成大小为34kd的成熟表达产物，定位于细胞外膜。
After a series of reactions , an ester which is a derivative of ferrocene is obtained , then using the ester react with 1 , 8 - naphthalenediamme , o - m - , p - phenyleiiediamine , ethylenediamine and 4 . 4 ' - - biphenyldiamine respectively , polymer ( i ) ( ii ) ( iii ) ( iv ) ( v ) and polymer ( vi ) are obtained at the final part , we have discussed in brief the general properties of polymer ( i ) - { vi ) and analyzed systematically hnmr ir spectrum tg - dt diagram and molecular weight distribution of these polymers 简要讨论了聚合物( i )一( vi )的一般性质，对聚合物的核磁共振谱、红外光谱、 t (卜刃t图以及分子量分布进行了系统研究。本文对聚合物( i ) 、 ( 111 )和(砚)的核磁共振谱和红外光谱进行了分析，研究结果表明:聚合物中的援基上的氧原子能与芳胺上的氢原子形成分子内氢键，使聚合物的分子内出现了一个平面六元环结构，并山于分子内氢键的存在
The advance , the applications in organic light - emitting diodes ( oleds ) and the future r & d directions of the well developed types of organic red emitters , such as transition metal complexes , intra - molecular charge transfer ( ict ) compounds , condensed aromatic hydrocarbons and oligomers are discussed 本文总结了近年来有机金属配合物、分子内电荷转移化合物、稠环芳香类化合物以及齐聚物等几类有机电致发光红色发光材料的研究进展，详细介绍了它们在有机电致发光器件中的应用，并对有机电致发光红色发光材料未来的研究方向作了展望。
Mekler idlis ( m - i ) pair theory suggests that each codon - directed amino acid residue in a sense peptide may make a specific pair - wise interaction with the corresponding complementary codon - directed residue in the complementary peptide . ahbs theory suggests also the parts between / in the proteins that are capable of interacting specifically . the interaction between receptor and ligand is the recognition and interaction between proteins . if the receptor is the sens e peptide , the ligand , which can specifically bind to it , must have one or several antisense peptides . these antisense peptides muat be located at the key place which has relationship with the function of the ligand Ahbs (反义同源盒)理论和分子识别理论描述了蛋白分子内和蛋白分子间可以特异结合的区域结构具有正义与反义的关系。受体与配体的相互作用实质上是蛋白质分子间的识别、结合和相互作用的过程。将受体看作是有义肽，那么可与之特异结合的配体分子中可能存在一段或多段反义肽，而且其存在的部位是配体功能的关键位置。
We have more interest in benzofuroxans with amino and nitro substituents because the effect of pushing electron of amino group increases the bond energy of c - no2 , and there are strong intramolecular and intermolecular hydrogen bonds between amino and nitro group . these hydrogen contacts can make the molecular structure more stability . so aminonitrobenzodifuroxan may have good heat resistance and low impact sensitivity 所以我们对氨基硝基苯并氧化呋咱这类炸药更为关注，因为氨基的推电子效应使c - no _ 2键能增强，且氨基的氢原子与硝基的氧原子间形成强的分子内和分子间氢键，更增强了分子的稳定性，所以它们可能获得优良的热安定性和较低的感度。
