Zobrazeno 1 - 10
of 14
pro vyhledávání: '"Jian-Chuang Chang"'
Autor:
Jian-Chuang Chang, 張金泉
90
This thesis comprises two parts: 1. the quantum mechanics studies on electronic and spectrum properties of pyrene and its derivatives; 2. the calculations of the structures and energies diagram for triphenylamine derivatives, which are applie
This thesis comprises two parts: 1. the quantum mechanics studies on electronic and spectrum properties of pyrene and its derivatives; 2. the calculations of the structures and energies diagram for triphenylamine derivatives, which are applie
Externí odkaz:
http://ndltd.ncl.edu.tw/handle/05500001319371865494
Publikováno v:
Journal of Theoretical and Computational Chemistry. :915-927
Applying Kinetic Monte Carlo (KMC) technique, we investigated the influence of temperature and step-width on the step-flow growth of a (2D + 1) semiconductor-like uniform-spacing stepped model with inverse Ehrlich–Schwoebel (iES) barrier. The relat
Publikováno v:
Journal of Luminescence. 124:333-342
Recently, triphenylamine (TPA), 4,4′-bis(phenyl-m-tolylamino)biphenyl (TPD), 4,4′-bis(1-naphthylphenylamino)biphenyl (NPB) and their derivatives are widely used in the organic light-emitting diode (OLED) devices as a hole-transporting material (H
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 716:19-25
During last decade, the DCM derivatives have been used as a laser dye and a red emitter or a red dopant for OLED devices. A series of unsymmetrical DCM, DCJ, and RED as well as symmetrical DAD derivatives of DCM have been recently synthesized and pro
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 629:11-20
The chromophore of pyrene molecule has been studied in detail by using ab initio (HF, DFT and MP2) and the semi-empirical methods (AM1, PM3 and ZINDO). For its molecular structure, HOMO, LUMO, molecular orbital energies and electronic spectra, the th
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 540:171-176
According to the experimental investigation, the carbon nano-particles have spherical multi-layer structure (also called onion-like carbon structure). Theoretically, the optimum structures of these large fullerenes contain highly faceted shapes with
Publikováno v:
Canadian Journal of Chemistry. 78:224-232
The results of ab initio calculations with the 6-31G basis sets on azulene and its derivatives (including azulenequinones and diazoazulenequinones) are presented in accordance with considerations of their structures and bonding. Azulene is a non-alte
Publikováno v:
Journal of hazardous materials. 192(1)
Thermal abuse behaviors relating to adiabatic runaway reactions in commercial 18650 lithium ion batteries (LiCoO(2)) are being studied in an adiabatic calorimeter, vent sizing package 2 (VSP2). We select four worldwide battery producers, Sony, Sanyo,
Publikováno v:
ChemInform. 31
The results of ab initio calculations with the 6-31G basis sets on azulene and its derivatives (including azulenequinones and diazoazulenequinones) are presented in accordance with considerations o...
Publikováno v:
Australian Journal of Chemistry. 61:600
This paper is the winner of the Young Scientist Award at the Asian Chemical Congress in Kuala Lumpur, 2007. Applying the Kinetic Monte Carlo (KMC) technique, we successfully investigated the effect of deposition rate on the growth pattern of an Alq3