| 080 / 1 |
Symmetry Analysis of the Electronic Structure of Polyhedron Clusters M12(Ih),M12(On)and M60(Ih)
|
|
2011-06-09 |
| 092 / 1 |
有機塞吩半導體材料
|
|
2011-06-09 |
| 094 / 1 |
Theoretical investigation of STOKES SHIFT OF 3,4-diary1-substituted maleimide fluorophpres
|
|
2011-06-09 |
| 094 / 1 |
Theoretical investigation of electro-luminescent properties in red emission DCM, DCJ,RED and DAD derivstives
|
|
2011-06-09 |
| 091 / 1 |
巨球烯與多層球烯
|
|
2011-06-09 |
| 086 / 1 |
Valence points and symmetry views of the structures of carbon clusters, fullerenes and metallofullerenes
|
|
2011-06-09 |
| 080 / 1 |
M (Ih), M(Oh)及M60 (Ih)之電子結構及對稱分析
|
|
2011-06-09 |
| 082 / 1 |
Atomic Overlaps Molecular Orbitals and Vibrational Transformation in the Polyhedral Clusters M12 (Oh) and M12(Ih)
|
|
2011-06-09 |
| 096 / 1 |
QSAR analysis of the lipid peroxidation inhibitory activity with structure and energetics of 36 flavonoids derivatives
|
|
2011-06-09 |
| 090 / 1 |
1.Spherical shape of the goldberg type giant fullerenes
|
|
2011-06-09 |
| 098 / 1 |
Deposition rate effect of Alq3 thin film growth: A kinetic Monte Carlo study
|
|
2011-06-09 |
| 098 / 1 |
Theoretical study of optical and electronic properties of p-terphenyls containing cyano substituents as promising light-emitting materials
|
|
2011-06-09 |
| 078 / 1 |
(新聘博士免附著作)
|
|
2011-06-09 |
| 099 / 1 |
Theoretical Investigation of Organic Amines as Hole Transporting Materials: Correlation to the Hammett Parameter of the Substituent, Ionization Potential, and Reorganization Energy Level
|
|
2011-06-09 |
| 093 / 1 |
Theoretical investigation of electroluminescent material 1,4-distyrylbenzene derivatives
|
|
2011-06-09 |
| 078 / 1 |
Symmetry Analysis of Bonding and Reactivity of Metal Clusters
|
|
2011-06-09 |
| 087 / 1 |
Theoretical studies of C60/C70 fullerene derivatives:C O and C60 O and C70 O
|
|
2011-06-09 |
| 098 / 1 |
Synthesis of Quinolizino[3,2,-a]Quinolizine derivatives and their fluorescence
|
|
2011-06-09 |
| 098 / 1 |
Development of Fluorescent 2-Pyrone derivatives using Ketene Dithioacetals for organic EL devices
|
|
2011-06-09 |
| 098 / 1 |
Structural and Optical Properties of Passivated Silicon Nanoclusters with Different Shapes: A Theoretical Investigation
|
|
2011-06-09 |
| 099 / 1 |
Infinite single-walled boron-nitride nanotubes studies by LGTO-PBC-DFT method
|
|
2011-06-09 |
| 083 / 1 |
Symmetry and geometry structure of polyhedral atomic and molecular clusters
|
|
2011-06-09 |
| 081 / 1 |
球烯與雜球烯的研究
|
|
2011-06-09 |
| 089 / 1 |
Semiempirical molecular dynamics studies of C60/C70 fullerene oxides:C60O,C60O2 and C70O
|
|
2011-06-09 |
| 098 / 1 |
One-pot synthesis of 6-substituted amino-2,4-diaminopyrimidine derivatives using ketene dithioacetals with amines and guandine carbonate
|
|
2011-06-09 |
| 095 / 1 |
A semiempirical study of Carbon Nanotubes with Finite Tubular Length and Various Tubular Diameters
|
|
2011-06-09 |
| 097 / 1 |
Localized Gaussian Type Orbital-Periodic Boundary Condition-Density Functional Theory Study of Infinite-Length Single-Walled Carbon Nanotubes with Various Tubular Diameters
|
|
2011-06-09 |
| 088 / 1 |
1.Comparative Theoretial study of Carbon Nanotubes and Boron-Nitride Nanotubes
|
|
2011-06-09 |
| 085 / 1 |
A theoretical study of C60, C76, and C84 fullerenes and their isomeric rea-prangement mechanisms by emiempirical methods
|
|
2011-06-09 |
| 093 / 1 |
Oligofluorene-Thiophene Derivatives as High-Performance Semiconductors for Organic Thin Film Transistors
|
|
2011-06-09 |
| 095 / 1 |
Theoretical Investigation of Pyrazolo〔3,4-b〕Quinoline Derivatives as Emitting Materials
|
|
2011-06-09 |
| 096 / 1 |
DFT-PCM studies of the solvent effects on the absorption properties of DCM
|
|
2011-06-09 |
| 085 / 1 |
A Semiempirical study of C N and boron-nitrogen aualogs
|
|
2011-06-09 |
| 090 / 1 |
2.Theoretical studies of azulene and its derivatives
|
|
2011-06-09 |
| 092 / 1 |
C70（OH）n球烯之理論研究
|
|
2011-06-09 |
| 091 / 1 |
NH4+ (NH3) 0-5 之全始算研究
|
|
2011-06-09 |
| 096 / 1 |
Theoretical investigations of triphenylamine derivatives as hole transporting materials in OLEDs:Correlation of the Hammett parameter of the substituent to ionization potential, and reorganization energy level
|
|
2011-06-09 |
| 097 / 1 |
Theoretical investigations of carbazole derivatives as hole-transporting materials in OLEDs
|
|
2011-06-09 |
| 088 / 1 |
2.The free-OH stretching fre-quencies of 3-coordinated H2O in water clusters and on ice surface
|
|
2011-06-09 |
| 099 / 1 |
Structure and Magnetic Property ofμ-alkoxo-μ-6-methoxypurinate double bridged dinuclear copper(II) complex
|
|
2011-06-09 |
| 097 / 1 |
Electronic structure and molecular orbital study of hole-transport material triphenylamine derivatives
|
|
2011-06-09 |
| 097 / 1 |
Theoretical investigations of the molecular conformation and reorganization energies in the organic diamines as hole-transporting materials
|
|
2011-06-09 |
| 097 / 1 |
Effects of substituent and solvent on the structure and spectral properties of maleimide derivatives
|
|
2011-06-09 |
| 081 / 1 |
The Exact lcosahedral Symetry Retations for Atomic overlaps, Molecular Orbitals and Vibrational Species of C60 Buckyballs
|
|
2011-06-09 |
| 091 / 1 |
場效電晶體oligofluorene之穩定性研究
|
|
2011-06-09 |
| 091 / 1 |
LC之分子動力學模擬
|
|
2011-06-09 |
| 093 / 1 |
Theoretical investigation the electroluminescence characteristics of pyrene and its derivatives
|
|
2011-06-09 |
| 097 / 1 |
Step-Flow Growth on Semiconductor-Like Stepped Surface: A Kinetic Monte Carlo Study
|
|
2011-06-09 |
| 100 / 1 |
Effect of passivants in energy gap of Si47X24Y36 nano-clusters: A theoretical investigation
|
|
2012-10-23 |
| 100 / 1 |
Pharmacophore Modeling of tyrosine kinase inhibitors: 4- anilinoquinazoline derivatives
|
|
2012-10-23 |
| 100 / 1 |
Investigation of Photophysical Properties of mer-Tris(8-hydroxyquinolinato) Aluminum (III) and Its Derivatives: DFT and TD-DFT Calculations
|
|
2012-10-23 |
| 101 / 1 |
Synthesis of 6-(4-diethylamino)phenyl-2-oxo-2H-pyran-3- carbonitorile derivatives and their fluorescence in solid state and in solution
|
|
2013-05-15 |
| 101 / 1 |
Photophysical properties of arylcarbonitrile derivatives: Synthesis, absorption and emission spectra, and quantum chemical studies
|
|
2013-05-15 |
| 102 / 1 |
Evaluation of the structure–activity relationship of flavonoids as antioxidants and toxicants of zebrafish larvae
|
|
2014-07-16 |
| 102 / 1 |
Dft and td-dft investigations of metal-free dye sensitizers for solar cells: effects of electron donors and π-conjugated linker
|
|
2014-07-16 |
| 102 / 1 |
Modeling of conjugated heat transfer in direct-contact membrane distillation of seawater desalination systems
|
|
2014-07-16 |
| 102 / 1 |
Photo-Physical Properties Of N-Methyl-3,4-Fulleropyrrolidine And Its Derivatives: A Dft And Td-Dft Investigation
|
|
2014-07-16 |
| 103 / 1 |
Towards Relative Populations of Non-Isomeric Metallofullerenes: La@C76(Td) vs. La2@C76(Cs, 17490)
|
|
2015-03-13 |
| 103 / 1 |
Theoretical investigation of conformational stabilities and 13C NMR chemical shifts of a seven-membered ring thiosugar, (3R,4R,5R,7S)-7-(hydroxymethyl)thiepane-3,4,5-triol
|
|
2015-03-13 |
| 103 / 1 |
Substituted group and side chain effects for the porphyrin and zinc(II)–porphyrin derivatives: A DFT and TD-DFT study
|
|
2015-03-13 |
| 104 / 1 |
Evaluation of the tetraogenic effects of three traditional Chinese medicines, Si Jun Zi Tang, Liu Jun Zi Tang and Shenling Baizhu San, during zebrafish pronephros development
|
|
2016-09-03 |
| 104 / 1 |
A Theoretical Investigation of low energy band gap polymers: polythiophene systems
|
|
2016-09-03 |
| 104 / 1 |
Novel dipolar 5,5,10,10-tetraphenyl-5,10-dihydroindeno[2,1-a]-indene derivatives for SM-OPV: A combined theoretical and experimental study
|
|
2016-09-03 |
| 105 / 1 |
Synthesis of Indeno[1,2-d]pyrimidin-5-Ones and Their Fluorescence in Solid State
|
|
2017-05-18 |
| 105 / 1 |
Blue fluorescent dihydro-indenoindene derivatives with unusual low oxidation potentials as multifunctional OLED materials
|
|
2017-05-18 |
| 105 / 1 |
2-Pyridone-based fluorophores containing 4-dialkylamino-phenyl group: Synthesis and fluorescence properties in solutions and in solid state
|
|
2017-05-18 |
| 106 / 1 |
Study on the alkaline stability of imidazolium and benzimidazolium based polyelectrolytes for anion exchange membrane fuel cells
|
|
2018-07-26 |
| 106 / 1 |
Density functional analysis of gaseous molecules adsorbed on metal ion/defective nano-sheet graphene
|
|
2018-07-26 |
| 107 / 1 |
Electronic and photophysical properties of the bend D-T-A-T-D derivatives for small-molecule organic photovoltaic (SM-OPV) solar cells: a DFT and TD-DFT investigation
|
|
2019-02-20 |
| 107 / 1 |
Novel thienoisoindigo-based dyes for near-infrared organic photovoltaics - A combination of theoretical and experimental study
|
|
2019-02-20 |
| 108 / 1 |
Theoretical Study of 5,10-diphenylindeno[2,1-a]indene (DPI) dyes for Dye Sensitized Solar Cells (DSSC)
|
|
2020-04-15 |
| 108 / 1 |
Optimized geometry, electronic structure and Ag adsorption property of nanosheet graphene with different symmetry shapes: a theoretical investigation
|
|
2020-04-15 |