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Keyword [Density-Functional Theory]
Result: 81 - 100 | Page: 5 of 10
81.
Investigation Of The Gas-Phase Oxygen-Atom Transport Catalyzed By Transition Metal Ions
82.
Study On SPM-Based Nanomachining Related Processing Theory And Techniques
83.
Investigations On The Structural Phase Transition And Surface Stabilities Of A
2+
B
4+
O
3
Perovskite Crystals
84.
Theoretical Study On The Atmospheric Reaction Mechanism Of Volatile Organic Compounds
85.
Structures, Spectrum Properties And OFET Performance Of Phthalocyanine Complexes Based On Density Functional Theory Calculations
86.
Quantum Chemistry Study Of The Structures, Properties, And Semiconductor Performance Of Phthalocyanine Complexes
87.
Density Functional Theory Study Of Microstructure Of Comblike Copolymer Systems
88.
Preparation, Characterization, Application Of Nitrogen-Incorporated ZSM-5 Zeolites And Its Density Functional Theory Study
89.
Theoretical Investigations On The Electronic Structures And Properties Of Several Heterocyclic Molecules
90.
Theoretical Studies Of Surfactant On QSPR, Interfacial Adsorption And Self-Assembly
91.
First Principles Study Of Electronic Properties Of Nanostructure Diamond And Related Materials
92.
Quasi-One-Dimensional Nanotubes: Geometry And Electronic Structure Tuning From First-Principles Calculation
93.
First-Principles Study Of Defect Physics For ZnO And Phase-Change Mechanism For GeSbTe
94.
Theoretical Studies On Mechanisms And Dynamics Property Of Several Important Reactions
95.
First-principles Investigation On The Properties Of Nanocone And Graphene
96.
Design, Synthesis And Properties Of Functionalized Silicon-containing Dendrimers
97.
Theoretical Study On Several Important Reactions Catalyzed By Gold-based Catalysts
98.
Theoretical Study For The Catalytic Activity Of Gold And Gold-Platinum Noble Metal Nanomaterials
99.
Studies On Catalytic Steam Reforming Of Acetic Acid For Hydrogen
100.
Quantum Chemical And Dissipative Particle Dynamics Studies Of TATB-Based PBX
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