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Vibrational properties of vitreous GeSe2 with the Becke-Lee-Yang-Parr density functional
Structural Composition of First-Neighbor Shells in GeSe2 and GeSe4 Glasses from a First-Principles Analysis of NMR Chemical Shifts
Note: Accounting for pressure effects on the calculated equilibrium structure of glassy GeSe2
Investigation of size effects on the structure of liquid GeSe2 calculated via first-principles molecular dynamics
Structure and Dynamics of Ionic Liquids Confined in Amorphous Porous Chalcogenides
Tuning Magnetic Properties with Pressure in Hybrid Organic-Inorganic Materials: The Case of Copper Hydroxide Acetate
Network connectivity and extended Se chains in the atomic structure of glassy GeSe4
Compositional Thresholds and Anomalies in Connection with Stiffness Transitions in Network Glasses
First-principles study of amorphous Ga4Sb6Te3 phase-change alloys
Layered hydroxide hybrid nanostructures: a route to multifunctionality
Structure, topology, rings, and vibrational and electronic properties of GexSe1-x glasses across the rigidity transition: A numerical study
Structural properties of liquid Ge2Se3: A first-principles study
Meeting experimental challenges to physics of network glasses: Assessing the role of sample homogeneity
The structure of liquid GeSe revisited: A first principles molecular dynamics study
Thermal behavior of Si-doped fullerenes vs their structural stability at T=0 K: A density functional study
Metal-organic molecule-metal nano-junctions: a close contact between first-principles simulations and experiments
Interacting Lewis-X Carbohydrates in Condensed Phase: A First-Principles Molecular Dynamics Study
Nanoporous chalcogenides for adsorption and gas separation
The role of 2D/3D spin-polarization interactions in hybrid copper hydroxide acetate: new insights from first-principles molecular dynamics
Stability of Ge12C48 and Ge20C40 heterofullerenes: A first principles molecular dynamics study

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