Electronic Structure

Electronic spectra of trans-[Ru(NH3)4(L)NO]3+/2+ complexes

Inorganic Chemistry / Density-functional theory / DFT calculation / Metal Complexes / Electronic Spectra / Electronic Structure / Time Dependent / Electronic Structure / Time Dependent

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Introdução a relatividade

Engineering / Chemical Engineering / Analytical Chemistry / Inorganic Chemistry / Electrochemistry / X ray absorption spectroscopy / Cyclic Voltammetry / Multidisciplinary / Electroanalysis / Protein Stability / Biological Sciences / Protein Structure and Function / Copper / Absorption spectroscopy / Solid State electronic devices / Cytochrome C / Physical sciences / Iron / UV/Vis spectroscopy / Electronic Structure / Schiff bases / CHEMICAL SCIENCES / Electrons / Anderson localization / Spectrum / Biometals / Langmuir / Reaction Mechanism / X Ray Photoelectron Spectroscopy / X ray Emission / Ligands / Electrochemical method / Oxidation-Reduction / Electrochemical Oxidation / Anodic Oxidation / Biochemistry and cell biology / Power Sources / State dependence / X ray absorption spectroscopy / Cyclic Voltammetry / Multidisciplinary / Electroanalysis / Protein Stability / Biological Sciences / Protein Structure and Function / Copper / Absorption spectroscopy / Solid State electronic devices / Cytochrome C / Physical sciences / Iron / UV/Vis spectroscopy / Electronic Structure / Schiff bases / CHEMICAL SCIENCES / Electrons / Anderson localization / Spectrum / Biometals / Langmuir / Reaction Mechanism / X Ray Photoelectron Spectroscopy / X ray Emission / Ligands / Electrochemical method / Oxidation-Reduction / Electrochemical Oxidation / Anodic Oxidation / Biochemistry and cell biology / Power Sources / State dependence

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Structural, electronic, and magnetic properties of Fe2SiO4 fayalite: Comparison of LDA and GGA results

Engineering / Mechanical Engineering / Geochemistry / Condensed Matter Physics / Inorganic Chemistry / Solid State Chemistry / Density-functional theory / Inorganic / Scanning tunneling microscopy / Band Structure / Computer Software / DFT calculation / Mathematical Sciences / Heavy Ions Physics / Structured data / Thin Film / Physical sciences / Magnetic Properties / Magnetic Susceptibility / Domain wall / Electronic properties / Low energy electron diffraction / Electron Density / Electronic Structure / CHEMICAL SCIENCES / Rare Earth Element Mineralization / Energy Production / Curie temperature / X ray diffraction / Single Crystal / Rare Earth / Tight Binding / Model System / Structural Properties / Three Dimensional / Magnetism and Magnetic Materials / Interdisciplinary Engineering / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Structural Chemistry / Ab Initio Calculation / Vibrating Sample Magnetometer / Intermetallic Compound / Zero-field-cooled / Biochemistry and cell biology / Current Mode / Magnetic Anomalies / Spin Polarization / Ion Irradiation / Solid State Chemistry / Density-functional theory / Inorganic / Scanning tunneling microscopy / Band Structure / Computer Software / DFT calculation / Mathematical Sciences / Heavy Ions Physics / Structured data / Thin Film / Physical sciences / Magnetic Properties / Magnetic Susceptibility / Domain wall / Electronic properties / Low energy electron diffraction / Electron Density / Electronic Structure / CHEMICAL SCIENCES / Rare Earth Element Mineralization / Energy Production / Curie temperature / X ray diffraction / Single Crystal / Rare Earth / Tight Binding / Model System / Structural Properties / Three Dimensional / Magnetism and Magnetic Materials / Interdisciplinary Engineering / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Structural Chemistry / Ab Initio Calculation / Vibrating Sample Magnetometer / Intermetallic Compound / Zero-field-cooled / Biochemistry and cell biology / Current Mode / Magnetic Anomalies / Spin Polarization / Ion Irradiation

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O(N) real-space method for ab initio quantum transport calculations: Application to carbon nanotube–metal contacts

Carbon Nanotube / Nanowires / Quantum Transport / Band Structure / Electron Transport / Electronic Structure / Electrical Properties / Tight Binding / Contact Resistance / Carbon Nano Tube / Ab Initio Calculation / Electronic Structure / Electrical Properties / Tight Binding / Contact Resistance / Carbon Nano Tube / Ab Initio Calculation

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Spectral properties of incommensurate charge-density wave systems

Mathematical Sciences / Physical sciences / Electronic Structure / Phase Separation / Photoemission / Fermi Surface

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Titanium(IV) complexes as direct TiO2 photosensitizers

Inorganic Chemistry / Coordination Chemistry / Titanium / Interest Groups / Surface modification / Titanium dioxide / Electronic Structure / Excited states / Visible Light / Charge transfer / Experimental Data / Salicylic Acid / Photoinduced Electron Transfer / Titanium dioxide / Electronic Structure / Excited states / Visible Light / Charge transfer / Experimental Data / Salicylic Acid / Photoinduced Electron Transfer

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Titanium(IV) complexes as direct TiO2 photosensitizers

Inorganic Chemistry / Coordination Chemistry / Titanium / Interest Groups / Surface modification / Titanium dioxide / Electronic Structure / Excited states / Visible Light / Charge transfer / Experimental Data / Salicylic Acid / Photoinduced Electron Transfer / Titanium dioxide / Electronic Structure / Excited states / Visible Light / Charge transfer / Experimental Data / Salicylic Acid / Photoinduced Electron Transfer

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QWalk: A quantum Monte Carlo program for electronic structure

Engineering / Computational Physics / Monte Carlo / Quantum Mechanics / Quantum Monte Carlo / Open Source / Mathematical Sciences / Physical sciences / Electronic Structure / Electronic Structure Calculation / Open Source / Mathematical Sciences / Physical sciences / Electronic Structure / Electronic Structure Calculation

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Theoretical optical parameters for III-nitride semiconductors

Microelectronics / Band Structure / DFT calculation / Nitrides / Zinc / Electronic Structure / Dielectric Constant / LAPW Method / Electrical And Electronic Engineering / Laser Diode / Optical Parameters / Light Emitting Diode / Electronic Structure / Dielectric Constant / LAPW Method / Electrical And Electronic Engineering / Laser Diode / Optical Parameters / Light Emitting Diode

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Circular dichroism spectra of synthetic amethyst crystals

Circular Dichroism / Electronic Structure / Spectrum

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Defects in semiconductor nanostructures

Quantum Confinement / Mathematical Sciences / Physical sciences / Information Age / Electronic Structure / Dielectric Constant / Pramana / Dielectric Constant / Pramana

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Spectral properties of incommensurate charge-density wave systems

Condensed Matter Physics / Mathematical Sciences / Physical sciences / Electronic Structure / Phase Separation / Photoemission / Fermi Surface / Photoemission / Fermi Surface

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Nonmagnetic semiconductor spin transistor

Engineering / Magnetic Materials / Physical sciences / Spin Relaxation / Electronic Structure / Quantum Well / Electric Field / Quantum Well / Electric Field

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Defects in semiconductor nanostructures

Quantum Confinement / Mathematical Sciences / Semiconductor / Density Functional Theory / Physical sciences / Nanostructures / Information Age / Electronic Structure / Dielectric Constant / Tight Binding / Pramana / Nanostructures / Information Age / Electronic Structure / Dielectric Constant / Tight Binding / Pramana

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Building semiconductor nanostructures atom by atom

Microelectronics / Electronic Structure / Tight Binding / Effective mass / PROBABILITY DENSITY / Force Field Analysis / Electrical And Electronic Engineering / Electronic Structure Calculation / Force Field Analysis / Electrical And Electronic Engineering / Electronic Structure Calculation

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Surface magnetism in ZnO/Co[sub 3]O[sub 4] mixtures

Engineering / Applied Physics / X ray absorption spectroscopy / Optical Spectroscopy / Mathematical Sciences / Physical sciences / Band Gap / Zinc / Electronic Structure / Room Temperature / Physical sciences / Band Gap / Zinc / Electronic Structure / Room Temperature

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