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- Keywords 2-hydroxylpyridine;assisting proton transfer;density functional theory(DFT);keto-hydroxyl tautomerism; 羟基吡啶;辅助质子转移;密度泛函理论;醇式-酮式互变;
- assisting proton transfer 辅助质子转移
- Structures of pyridine clusters and mechanism of intracluster proton transfer are presented. 给出了吡啶团簇的稳定结构和簇内的质子转移过程。
- Ab initio quantum chemical method has been used to study the proton transfer of the L-form of 2-hydroxyethenyl-1-oxy(C_2H_3O_2) radical. 用量子化学从头计算方法研究了2-羟基-1-氧基乙烯自由基的质子转移反应。
- Instead, ESIPT takes place, forming a proton transfer tautomer, in which the central nitrogen atom acts as the secondary alkyl amine. 非光缓解途经可分为物理性质的由光能转为热能散失在系统中,或是化学性质的由光能转为化学能进行化学反应;
- A critical review on hydrogen bond rearrangement and solvation-induced proton transfer dynamics in molecular duster ions is provided. 综述了分子离子团簇中的氢键重排和溶剂效应引起的质子转移。
- According to the conductance results, the reactions between 4 - tert - butyl - calix[4] arene and amines proceed in two steps. First, a proton transfer from calixarene to amine. 电导测定表明在乙腈溶液中脂肪胺与对叔丁基杯[4]芳烃间的反应分两步进行:首先胺从杯芳烃得到一个质子生成胺正离子和杯负离子;然后离子再进一步包合.
- A study of the proton transfer process from halobenzoic acids to benzoic acid in water-ethanol mixtures compared with the same process in the gaseous phase is presented. 将在水乙醇混合溶剂中从卤代苯甲酸到苯甲酸的质子迁移过程与在气相中的同一过程进行了比较。
- Abstract : Density functional theory (DFT) of quantum chemistry method was employed to investigate proton transfer reactions of 8-hydroxyquinoline (8-HQ) monomers and dimers. 摘要 : 本文利用密度泛函理论研究了8-羟基喹啉单体及二聚体质子转移反应。
- And geometry optimized structures of DHP(HMP) tautomers-ethanol clusters and the related transition states (TS) of the proton transfer process have been obtained at B3LYP/6-31G(d) level. 同时在B3LYP/6-31G(d)水平下获得了HMP(DHP)异构体-乙醇分子复合物以及相应质子迁移的过渡态构型优化结构。
- Absorption and excited state intramolecular proton transfer (ESIPT) fluorescence of 2'-ethylhexyl salicylate (EHS) were examined in the presence of cationic, non-ionic, and anionic surfactants. 摘要考察了阳离子、非离子和阴离子表面活性剂存在下水杨酸-2'-乙基己基酯(EHS)的吸收光谱和激发态分子内质子转移(ESIPT)荧光光谱。
- It is important to know the structures, stability and vibrational spectra of molecule clusters in order to comprehend the forming mechanism, proton transfer process, solvation effect. 认识分子团簇、以及分子团簇的结构、稳定性、振动光谱等方面的性质,对深入理解团簇的形成机理、以及由分子体系形成团簇再过渡到凝聚态物质过程,起到了至关重要的作用。
- proton transfer reaction mass spectrometry (PTR-MS) 质子转移反应质谱
- He assist me with my income tax return. 他帮助我填写所得税申报单。
- Intramolecular proton transfer fluorescence 分子内质子转移荧光
- Proton Transfer Reaction Mass Spectrometry(PTR-MS) 质子转移反应质谱
- Jack used to assist Mary in her lessons. 杰克过去常常帮助玛丽学习功课。
- excited-state intramolecular proton transfer 激发态分子内质子转移
- excited-state proton transfer(ESPT) 激发态质子转移(ESPT)
- The act or an instance of assisting; a boost. 帮助协助的行为或实例; 支援
- 今日热词
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- 深远海浮式风电平台 - deep-sea floating wind power platform
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- 京雄高速公路 - Beijing-Xiongan expressway
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- 农业及相关产业增加值 - the added value of agriculture and related industries