Ab Initio Calculation

Preparation, chemical and crystal structures of N-(2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-d-glucopyranosyl)pyridinium chloride

Organic Chemistry / NMR Spectroscopy / Magnetic Resonance Spectroscopy / Macromolecular X-Ray Crystallography / Crystal structure / X Rays / Ab Initio Calculation / X Ray Crystallography / Carbohydrate / Glycosides / Biochemistry and cell biology / Molecular Structure / X Rays / Ab Initio Calculation / X Ray Crystallography / Carbohydrate / Glycosides / Biochemistry and cell biology / Molecular Structure

ChemInform Abstract: Preparation, Chemical and Crystal Structures of N-(2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranosyl) pyridinium Chloride

Organic Chemistry / NMR Spectroscopy / Magnetic Resonance Spectroscopy / Macromolecular X-Ray Crystallography / Crystal structure / X Rays / Ab Initio Calculation / X Ray Crystallography / Carbohydrate / Glycosides / Biochemistry and cell biology / Molecular Structure / X Rays / Ab Initio Calculation / X Ray Crystallography / Carbohydrate / Glycosides / Biochemistry and cell biology / Molecular Structure

Preparation, chemical and crystal structures of N-(2-acetamido-3,4,6-tri- O-acetyl-2-deoxy-β- d-glucopyranosyl)pyridinium chloride

Organic Chemistry / NMR Spectroscopy / Magnetic Resonance Spectroscopy / Macromolecular X-Ray Crystallography / Crystal structure / X Rays / Ab Initio Calculation / X Ray Crystallography / Carbohydrate / Glycosides / Biochemistry and cell biology / Molecular Structure / X Rays / Ab Initio Calculation / X Ray Crystallography / Carbohydrate / Glycosides / Biochemistry and cell biology / Molecular Structure

ChemInform Abstract: Preparation, Chemical and Crystal Structures of N-(2Acetamido3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranosyl) pyridinium Chloride

Organic Chemistry / NMR Spectroscopy / Magnetic Resonance Spectroscopy / Macromolecular X-Ray Crystallography / Crystal structure / X Rays / Ab Initio Calculation / X Ray Crystallography / Carbohydrate / Glycosides / Biochemistry and cell biology / Molecular Structure / X Rays / Ab Initio Calculation / X Ray Crystallography / Carbohydrate / Glycosides / Biochemistry and cell biology / Molecular Structure

Pd1/MgO(): a model system in nanocatalysis

Condensed Matter Physics / Quantum Physics / Surface Science / Ab initio calculations / Carbon Monoxide / Infrared spectroscopy / Palladium / CO oxidation / Thermal Stability / Model System / Thermal desorption spectroscopy / Ab Initio Calculation / Surface Defects / Magnesium Oxide / Thermal desorption / Infrared spectroscopy / Palladium / CO oxidation / Thermal Stability / Model System / Thermal desorption spectroscopy / Ab Initio Calculation / Surface Defects / Magnesium Oxide / Thermal desorption

EDITORIAL: Special issue: CAMOP MOLEC XVI

Czech Republic / Complex System / Mathematical Sciences / Physical sciences / Low Energy Buildngs / Van Der Waals / Experimental Study / Hydrogen Bond / Optimal Reactive Power System / Cross Section / Chemical Reaction / Soft X Ray / Potential Energy Surface / Electro Magnetic / Ab Initio Calculation / Diffusion Monte Carlo / Molecular Dynamic Simulation / Van Der Waals / Experimental Study / Hydrogen Bond / Optimal Reactive Power System / Cross Section / Chemical Reaction / Soft X Ray / Potential Energy Surface / Electro Magnetic / Ab Initio Calculation / Diffusion Monte Carlo / Molecular Dynamic Simulation

Special issue: CAMOP–MOLEC XVI

Czech Republic / Complex System / Mathematical Sciences / Physical sciences / Low Energy Buildngs / Van Der Waals / Experimental Study / Hydrogen Bond / Optimal Reactive Power System / Cross Section / Chemical Reaction / Soft X Ray / Potential Energy Surface / Electro Magnetic / Ab Initio Calculation / Diffusion Monte Carlo / Molecular Dynamic Simulation / Van Der Waals / Experimental Study / Hydrogen Bond / Optimal Reactive Power System / Cross Section / Chemical Reaction / Soft X Ray / Potential Energy Surface / Electro Magnetic / Ab Initio Calculation / Diffusion Monte Carlo / Molecular Dynamic Simulation

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

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

Magnetic properties of bimetallic Co-Pd nanostructures

Materials Engineering / Condensed Matter Physics / Quantum Physics / Magnetic Properties / Ab Initio Calculation

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