Density Functional Theory - Globe Thesis

Keyword [Density Functional Theory] Result: 1 - 20 \| Page: 1 of 10
1.	Theoretical Investigations Into The Interaction Between Nucleic Bases And Small Active Inorganic Molecules
2.	Spin Polarization Effect And Structures For The Transition Elements Molecules
3.	Functionalization Of SWNT And Conformation Transition Of DNA
4.	First-principles Studies On Electronic Structures Of Compounds Containing Local D/f Electrons
5.	Zinc Oxide And Its Nanostructures
6.	Computational Studies For Excited States Of Small Atomic Clusters And Heterofullerenes
7.	Effect Of Doping On Electronic And Thermal Properties Of Inorganic Nanotubes
8.	The Effects Of Structural Defects And Grafts On Elastic Properties Of Carbon Nanotubes
9.	Density Functional Calculations Of The Magnetic Transition-metal And Carbon Mixed Clusters
10.	GW Method And Quasiparticle Band Structures Of Semiconductors
11.	First Principle Investigations On Electron Transport Through Single Molecule
12.	Polymerization Of The Hetero Fullerene-like Clusters And Functionalization Of The Product Polymer
13.	Atomitic Simulation Of The Behaviors Of Helium In Metals
14.	First-principles Study Of Surface Adsorption On Ni And GaP
15.	First-principles Study Of Defects And Dopability In ZnO
16.	Gold Nanotubes, Boron Nanotubes, And Metal-encapsulted Silicon Fullerenes: Ab Initio Predictions Of Configurations, Properties, And Performances
17.	Structures And Magnetic Ordering Of Bimetallic Transition Metal Clusters
18.	First-principles Study Of Surface Adsorption On Diamond And Uranium
19.	First-principles Studies On The Spintronics Materials
20.	Theoretical Study On The Interactions Of Metal Ions With DNA Base Pairs
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