Density functional theory calculations - Globe Thesis

Keyword [Density functional theory calculations] Result: 1 - 20 \| Page: 1 of 4
1.	Structures, Spectrum Properties And OFET Performance Of Phthalocyanine Complexes Based On Density Functional Theory Calculations
2.	Transport Properties Of Thermoelectric Oxide SrTiO₃: Theoretical Study
3.	Applications Of Density Functional Theory Calculations In Electrocatalytic Reaction And Electrocatalyst Design
4.	Structures And Spectroscopic Properties Of Meso-tetrasubstituted Porphyrin And Metal Porphyrin Complexes Based On Density Functional Theory Calculations
5.	Density Functional Theory Calculations Of The Electronic Structures And Properties Of Indolenium Squaraine Dyes
6.	Density Functional Theory Calculations On Scavenging Radicals Activity Of Several Natural Flavonoids
7.	Researches On Theoretical Calculations Of The Thiourea Complexes And The Applications Of Their After-treatment Products
8.	Modulating The Activity Of TM₃₈ Clusters Toward CO₂ Via Alloying Effect
9.	Regulate The CO₂ Adsorption On Transition Metal Surface By Alloying Effect
10.	Investigation Of Electronic And Magnetic Properties Of Embedded Graphene Quantum Dots And Graphene Nanoribbons With Grain Boundary
11.	Theoretical Studies On The Cyclopentadienyl Transition Metal Hydrides And Carbonyl Compounds
12.	Modulation Of The Molecular Structures Of Cationic Iridium Complexes:Photoelectric Performance And Structure-property Relationship
13.	Theoretical Study On The Modulation Of Photocatalytic Performance Of TiO₂
14.	Theorewcal And Simulation Study For Molecular Orientation Transformation During Organic Vapor Deposition Process And Bandgap Opening Of Bilayer Graphene
15.	Density Functional Theory Calculations On The Antioxidant Activity Of Anthocyanins
16.	Applications Of Density Functional Theory Calculations To The Study Of Nickel-based Hydrogen Evolution Electrodes
17.	Preparation Of Co/Mn-Based Oxide Catalysts For Li-O₂ Cells
18.	Theoretical Study On The Tuning Of Catalytic Performance Of Nanoalloy Catalysts
19.	The Study Of Adsorptive Metal Ions Onto Zeolite Imidazole Framework ZIF-8
20.	Theoretical Study On The Reaction Mechanism Of CO Oxidation And NO Reduction Over Ceria-based Catalysts
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