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First-principles calculations of the vacancy defects in BiOF as cathode materials for Li-ion batteries
British Library Online Contents | 2013| -
First principles investigation of the effects of Bi vacancy on the magnetic, conductive and electrochemical properties of BiF3
British Library Online Contents | 2013| -
First principles investigation of Na doping effects on the structural, magnetic, and electronic properties in SrRuO3
British Library Online Contents | 2013| -
Nonlinear elastic response of cubic crystals to biaxial strain
British Library Online Contents | 2013| -
Mechanism of CO adsorption on hexagonal WO3 (001) surface for gas sensing: A DFT study
British Library Online Contents | 2013| -
Investigation of the thermo-mechanical properties of single-walled carbon nanotubes based on the temperature-related higher order Cauchy-Born rule
British Library Online Contents | 2012| -
First principles study of structural, electronic and magnetic properties of Bi doped in hexagonal SrMnO3
British Library Online Contents | 2012| -
First principles study on the structural, magnetic and electronic properties of Te-doped BiF3
British Library Online Contents | 2012| -
Atomic and electronic structures of Si[001] (130) symmetric tilt grain boundaries based on first-principles calculations
British Library Online Contents | 2012| -
Size and shape dependent order-disorder phase transition of Co-Pt nanowires
British Library Online Contents | 2012| -
First principle calculations for pressure induced structural phase transitions of Fe doped in SrMnO3
British Library Online Contents | 2012| -
First-principles calculations on structural, magnetic and electronic properties of oxygen doped BiF3
British Library Online Contents | 2011| -
First-principles investigations on electronic and elastic properties of YX (X=N, P, As and Sb) under high pressure
British Library Online Contents | 2010| -
First-principles study of structural stabilities, electronic and elastic properties of BaF2 under high pressure
British Library Online Contents | 2010| -
Structures and structural evolution of Ptn (n=15-24) clusters with combined density functional and genetic algorithm methods
British Library Online Contents | 2009| -
Austenite composition design at the atomic scale for the iron-based multi-component alloy as cast
British Library Online Contents | 2008| -
Erratum to: "Gas-phase reaction thermodynamics in preparation of pyrolytic carbon by propylene pyrolysis" [Comput. Mater. Sci. 40 (2007) 504-524]
British Library Online Contents | 2008| -
Wave propagation in fluid-filled multi-walled carbon nanotubes embedded in elastic matrix
British Library Online Contents | 2008| -
Influence of chemical potential on the computer simulation of hydrogen storage in single-walled carbon nanotube array
British Library Online Contents | 2008|
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