位置：成果数据库 > 期刊 > 期刊详情页
Theoretical study on molecular packing and electronic structure of bi-1,3,4-oxadiazole derivatives
  • ISSN号：2046-2069
  • 期刊名称：RSC ADVANCES
  • 时间：2014
  • 页码：51942-51949
  • 相关项目：几何约束的纳米管材料与几类复合物材料储氢机理的理论研究
作者： Bredas, Jean-Luc|Qu, Songnan|Bai, Binglian|Li, Min|
同期刊论文项目
几何约束的纳米管材料与几类复合物材料储氢机理的理论研究
期刊论文 50
同项目期刊论文
STABILITIES AND FRAGMENTATION BEHAVIORS OF Ag-n CLUSTERS (n=2-34)
Theoretical investigation of triphenylamine-based sensitizers with different pi-spacers for DSSC
Theoretical Studies on the Interaction of Ruthenium Sensitizers and Redox Couple in Different Deprot
First principles studies of the self trapped hole and the fluorine adsorption on the SrF2(111) surfa
Planar amine-based dye features the rigidified O-bridged dithiophene pi-spacer: A potential high-eff
Exploring the sensitization properties of thienyl-functionalized tripyrrole Ru(II) complexes on TiO2
Theoretical Studies on the Absorption Spectra and Intramolecular Charge Transfer of Push-pull Zinc P
Discovering the intermediate of dye regeneration in dye-sensitized solar cells: Theoretical investig
Theoretical studies of heteroatom-doping in TiO2 to enhance the electron injection in dye-sensitized
Multireference ab initio study on the low-lying excited states of isoselenocyanic acid, HNCSe
Theoretical investigation on the spectroscopy prosperities of four isomers of an encoder molecule FG
Computational study on the radical reaction C4H + C4H10
Direct dynamics simulations of the hydrogen abstraction reaction Cl + CF3CF2CH2OH
Theoretical studies of the reaction of hydroxyl radical with cyclopentane (C5H10)
Theoretical computation of low-lying electronic states of HCNS: A CASPT2 study
Molecular dynamics simulation of a DOPA/ST monolayer on the Au(111) surface
A CASSCF/CASPT2 STUDY ON THE LOW-LYING ELECTRONIC STATES OF THE (CH3)(2)CHS AND ITS CATION
Theoretical investigation and design of high-efficiency dithiafulvenyl-based sensitizers for dye-sen
Atheoretical investigation on the p-conjugation effect on the structures and spectralproperties of t
From determination of the fugacity coefficients to estimation of hydrogen storage capacity: A conven
Investigation of Properties of Mg-n Clusters and Their Hydrogen Storage Mechanism: A Study Based on
The induced current strengths and aromatic pathways of heteroporphyrins and their antiaromatic deriv
Enhancing Electron Injection in Dye-Sensitized Solar Cells by Adopting W6+-Doped TiO2 Nanowires: A T
Theoretical description of dye regeneration on the TiO2-dye-electrolyte model
Controllable molecular aggregation and fluorescence properties of 1,3,4-oxadiazole derivatives
Theoretical investigation on remote-control photocycloreversion of dithienylethene driven by azobenz
Theoretical Investigation on Excited-State Cyclization Reactions of Platinum-Sensitized Dithienyleth
How Does (E)-2-(Acetamidomethylene)succinate Bind to Its Hydrolase? From the Binding Process to the
Optical Properties of Dye Based on Hydroxamate Improved with Designed Tridentate Ligands for Dye Sen
Theoretical study on a high-efficient porphyrin-sensitizer in a local electric field: How does the l
What Makes Hydroxamate a Promising Anchoring Group in Dye-Sensitized Solar Cells? Insights from Theo
Theoretical research on the effect of regulated pi-conjugation on the photophysical properties of Ir
Theoretical investigation of the adsorption, IR, and electron injection of hydroxamate anchor at the
Theoretical studies of fluorine substituent effect on organic photo-sensitizers in dye sensitized so
Theoretical and experimental study on intramolecular charge-transfer in symmetric bi-1,3,4-oxadiazol
Molecular Dynamics Simulations Suggest Ligand's Binding to Nicotinamidase/Pyrazinamidase
Theoretical Studies on the Dihydrogen Bonding Between Shortchain Hydrocarbon and Magnesium Hydride
Theoretical Studies on Phosphorescent Materials: The Conjugation-Extended Pt-II Complexes
Theoretical Studies on the Absorption Spectra and Intramolecular Charge Transfer of Push-pull Zinc Porphyrin Dyes for Dye-sensitized Solar Cells
染料敏化太阳能电池中EosinY在TiO2（101）表面的吸附构型及其对电子注入过程影响的理论研究