论文部分内容阅读
Assessment of Density Functional Theory(DFT)for a diverse set of π-conjugation isomerizations
【机 构】
:
School of Chemistry and Biochemistry,The University of Western Australia,Australia
【出 处】
:
The 15th ICQC International Congress of Quantum Chemistry(第1
【发表日期】
:
2015年期
其他文献
A first-principles theoretical study on the photoinduced carriers behavior in the BiVO4 heterojuncti
The rational design and fabrication of mixed-phase junctions is an attractive strategy for photocatalytic applications.We present a step-by-step theoretical
会议
New and improved descriptors for the QSAR study of benzimidazole derivatives as corrosion inhibitors
会议
会议
Discovery of the σ-hole in the iodine-ylide and mutual enhancing effects of the halogen/hydrogen-bon
会议