论文部分内容阅读
The decomposition of hydroxyamyl and pentyloxy radicals of 2-methyl-1-butanol:A theoretical study
【机 构】
：
National Synchrotron Radiation Laboratory,University of Science and Technology of China,Hefei,Anhui
【出 处】
：
The 15th ICQC International Congress of Quantum Chemistry(第1
【发表日期】
：
2015年期
其他文献
In this work,we have developed QSAR model for relative binding affinity(RBA) of a large diverse set of estradiolamong thesederivatives,theorganometallicderi
会议
Classical density functional theory for ionic liquids:rapid computations for scenario-based molecula
会议
On the proper treatment of the electrostatic interaction in computer simulations:Ewald artifacts and
会议
Theoretical study on the reaction mechanism of β-chloride elimination from square-planar nickel comp
会议
Unravelling doping effects of Tos on PEDOT at the molecular level:from geometry to thermoelectric tr
会议
Theoretical investigations on the single-atom gold doped graphitic C3N4 with enhanced photocatalytic
Thebicrystalline materials have wide applications from silicon chip to photocatalysis,but the controlled synthesis of nanocrytals with ordered phase junctio
会议