搜索结果: 16-30 共查到“知识库 有机合成化学”相关记录1973条 . 查询时间(0.875 秒)
有机合成中化学反应的机器学习
化学反应 机器学习 逆合成 图神经网络
2022/3/18
![](http://www.firstlight.cn/upload/imgfile/20225/11/2022511103358589.jpg)
黄有课题组Org. Lett.:不对称串联Corey-Chaykovsky环丙化/Cloke-Wilson重排反应构筑2,3-二氢呋喃化合物(图)
硫叶立德 炔丙基锍盐 串联Corey− Chaykovsky环丙化 Cloke− Wilson重排
2022/5/11
含能增塑剂2, 2-偕二硝基丙基三氟丙酸酯的合成及性能
含能增塑剂 2,2-偕二硝基丙基三氟丙酸酯 酯化反应 玻璃化转变温度 黏度
2022/3/23
含苹果酸酯的石蒜碱衍生物的合成及生物活性
石蒜碱 苹果酸酯 衍生物 抗癌活性
2022/3/23
由醋酸去氢表雄酮合成熊去氧胆酸
熊去氧胆酸 醋酸去氢表雄酮 Mitsunobu反应 Crabtree’s催化剂
2022/3/23
新型异喹啉衍生物的设计合成及抑菌活性
异喹啉衍生物 二苯醚 仿生合成 抑菌活性
2022/3/23
![](http://www.firstlight.cn/upload/imgfile/20242/28/202422819432666.jpg)
采用水热法设计合成了6个基于芳香羧酸的Ni(Ⅱ)配合物:[Ni(pz)4(H2O)2]·2H2btc·H2O(1),{[Ni2(pz)8(btec)]·4H2O}n(2),{[Ni(H2btec)(phen)]·2H2O}n(3),[Ni(Hbdc)2(pz)4](4),{[Ni3(bdc)3(pz)12]·2H2O}n(5)和[Ni(bdc)(pz)2(H2O)]n(6)(pz=吡唑,H3btc...
拟通过精馏法催化裂解工艺和酯化后处理工艺联用,制备低含氧量的替代柴油燃料油。采用自组装精馏法催化裂解反应装置,CaO催化剂,考察了催化裂解对裂解产物(裂解油)组分的影响,GC-MS和凝胶色谱分析显示:精馏法催化裂解工艺可有效控制裂解油的分子组成,降低平均相对分子质量。测定裂解产物的部分燃料油性能分别为:酸值59 mg/g,密度825 kg/m3、黏度4.07 mm2/s、热值41 kJ/g、冷凝点...
Quantum chemical studies on tautomerism and basicity behavior of some 1,2,4-triazole derivatives
tautomerism acidity constant nucleophilicity
2010/12/29
The acidity constants, relative stabilities, and tautomeric equilibrium constants of some 1,2,4-triazole derivatives were determined using the density functional theory (DFT) with the B3LYP method and...
Computational study on nitronium squarate - potential oxidizers for solid rocket propulsion?
Ammonium perchlorate combustion, nitronium squaric acid oxidizers
2010/12/29
The enthalpies of formation for solid ionic nitronium squarate, [NO2]2[C4O4], and covalent squaric acid dinitrate ester, O2N-C4O4-NO2, were calculated using the complete basis set (CBS-4M) method of P...
Mesoporous Ba/MCM-41 type materials (Ba/MCM-41) with high Ba/Si molar ratios between 0.025 and 0.1 were synthesized by direct hydrothermal synthesis. The samples were characterized by XRD, nitrogen ad...