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List of works by Yuhua Duan

Anharmonicity Explains Temperature Renormalization Effects of the Band Gap in SrTiO3

scientific article published on 16 March 2020

CO 2 capture properties of alkaline earth metal oxides and hydroxides: A combined density functional theory and lattice phonon dynamics study ⬇️

scientific article published on August 21, 2010

Density functional theory study of CO2 capture with transition metal oxides and hydroxides ⬇️

scientific article published on February 14, 2012

Effects of Sugars, Furans, and their Derivatives on Hydrodeoxygenation of Biorefinery Lignin-Rich Wastes to Hydrocarbons

scientific article published on 16 July 2018

First-principles exploration of oxygen vacancy impact on electronic and optical properties of ABO3-δ (A = La, Sr; B = Cr, Mn) perovskites

scientific article published on 23 November 2020

Insights into the structural function of the complex of HIV-1 protease with TMC-126: molecular dynamics simulations and free-energy calculations ⬇️

scientific article published on August 18, 2011

The optimal co-doping of SrFe1-xCoxO3-δ oxygen carriers in redox applications

scientific article published on 13 July 2020

Theoretical and experimental study of temperature effect on electronic and optical properties of TiO<sub>2</sub>: Comparing rutile and anatase

scientific article published on 16 June 2020

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