量子化学计算方法 meaning in English
quantum chemistry b
Examples
- Quantum chemistry b
量子化学计算方法 - The calculation of the quantum chemistry shows the reaction mechanism of the condensation reaction
利?量子化学计算方法讨论了该缩合反应的机理。 - In this paper , the thermoelectric properties of ca3co2o6 , and ca3co409 with layered structure are investigated by the quantum chemistry calculation . their conductivity and good thermoelectric properties are explained
本文运用量子化学计算方法对ca _ 3co _ 2o _ 6和ca _ 3co _ 4o _ 9层状氧化物体系的热电性质进行了研究，解释了其传导特性及其具有良好热电性能的原因。 - The enhanced photoconductive effect from small amount of tnf facilitates the preparations of new organic photoconductive devices under the drive of low fields . in the fourth chapter , inclpc nanoparticles embedded in poly ( n - vinylcarbzaole ) ( pvk ) were prepared successfully by dissolving inclpc in aprotic organic solvent / lewis acid with great concentration for the formation of electron donor - acceptor complexes , i . e . , the method of complexation - mediated solubilization . the fabricated inclpc nanoparticles were characterized by means of uv / vis absorption , x - ray diffraction pattern , and tem
论文的最后一章中，我们合成了具有较好的电子传输性能的化合物’一二苯基四竣酸花酚亚胺（ ddp ） ；研究了其溶解性、热稳定性、晶体结构、红外光谱、紫外吸收光谱和蒸镀薄膜的属性，并用量子化学计算方法模拟其单分子的空间构型；载流子迁移率测试的结果约为ix10 “ 、 m ’ v ” ’ ? s “ ’ 。