论文部分内容阅读
Electronic spectra, photophysical properties of free-base porphyrin and meso-subsitituted free-base
【机 构】
：
StateKeyLabofTheoretical&ComputationalChemistry,InstituteofTheoreticalChemistry,JilinUniversity,Chan
【出 处】
：
第十二届全国计算(机)化学学术会议
【发表日期】
：
2013年10期
其他文献
Structure-Based Design and Synthesis of Novel Dual-target inhibitors against Cyanobacterial Fructose
Cyanobacteria harmful algal blooms (HABs) pose an increasingly serious water pollution problem all over the world.Class Ⅱ Fructose-l,6-bisphoshate aldolase
Electrodeelectrolyte interface in electrochemical energy storage From supercapacitors to Li-ion batt
会议
Photophysical properties and redox potentials of tetrapyrrolic Ru(Ⅱ) complexes with carboxylic group
The Ru (Ⅱ) complexes, [Ru(Pc-(COOH)n)(NCS)2]2-(labeled as Pc-n) and [Ru(Por-(COOH)n)(NCS)2]-(Por-n) (n =0-4), are theoretically studied on their photophysi
Rare Event DynamicsIon Transportation Through Protein Channels and Across Membranes, its implication
Charged methyl guanidine is used as a model ion to study the transmembrane permeation of ions.With a widely applied reaction coordinate, our umbrella sampli
会议
Novel Sandwich Electride MoleculeCalix[4]pyrrole…K3O+…e@C2oF20-with Push and Pull Complexants Formed
Mimicing the Apollo moon-landing mode, We use both cupulate push electron complexant calix[4]pyrrole and spheric pull electron complexant C20F20 cage to san
会议
黑升麻(Cimicifuga racemosa/Actaea racemosa/Actea macrotys)是一种多年生毛茛科植物,其药用部位为根茎.在美国,作为一种应用广泛的膳食补充剂,为最畅销的20种植物膳食补充
Integrating Virtual Screening with Synthetic Medicinal Chemistry Discovery and Optimization of Novel
Virtual screening is becoming a powerful tool for lead identification.Although numerous examples of structure-based or pharmacophore-based virtual screening
会议