Theoreticalcalculation相关论文
This work reports on the synthesis and characterization of a series of Schiff-base cobalt(Ⅲ)complexes 1～4 that exhibit a......
A series of probes KJ-x (x =1-3) with carbon chains of different lengths based on the matrix ofrhodamine B were engineer......
Difluorocarbene (1CF2) is thought to an important species in fluorocarbon plasmas used in the etching of Si and SiO2 sur......
A combined experimental and theoretical study of the inhibition effect of three disulfide-based flav
Diallyl disulfide(DAD),propyl disulfide(PPD)and dibenzyl disulfide(DBD)flavouring agents as copper corrosion inhibitors ......
A DFT investigation of zinc(Ⅱ)complex with5-amino-2-(1H-benzoimidazol-2-yl)phenol:Charge transfer an
Metal chelate complexes belong to a kind of the most important emitting materials for OLEDs.The well-known one is Alq3.I......
Structures, photoluminescence and theoretical investigations on compounds of pyridine-2-amidoxine an
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Oriented Construction of Highly Efficient and Durable BiOX (X = Cl,Br,I) Photocatalysts for NOx Remo
Nitrogen oxide (NOx) which is an important secondary aerosol precursor and involved in the formation of photochemical sm......
脉冲钬激光在碎石手术中产生热效应, 由于对操作经验依赖严重, 不便于推广经验避免其副作用。为寻求医疗碎石激光的工程优选参数, ......
A π-conjugated optical functional organic compound comprising an electron donor (D) and acceptor (A) was synthesized.Th......
Semiconductor Performance of Porphyrin-4-ethynyl-7-(4-methylthiophen-2-yl)benzo[c][1,2,5] thiadiazol
Porphyrin complexes and organic oligomer complexes have the advantages of two materials.In-depth theoretical studies......
In this work, high quality VIB TM nitrides are successfully synthesized by metathesis reaction of chromium chlorides......
Theoretical investigation of charge transfer character and spectroscopic property of electroluminesc
In this paper theoretical calculations of an electroluminescence/photoluminescence-zinc(Ⅱ)chelate complex,[ZnL2](HL......
Ethylene is one of the largest volume chemical intermediates in the industry,which is driven by the polyethylene mar......
