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Publications by Xiang-Shui Miao
Ferroelectric Fatigue in Layered Perovskites From Self-Energy Corrected Density Functional Theory
RSC Advances
Chemistry
Chemical Engineering
Related publications
Ferroelectric Polarization of Hydroxyapatite From Density Functional Theory
RSC Advances
Chemistry
Chemical Engineering
Self-Interaction-Corrected Time-Dependent Density-Functional-Theory Calculations of X-Ray-Absorption Spectra
Physical Review A
Complex Orbitals, Multiple Local Minima, and Symmetry Breaking in Perdew–Zunger Self-Interaction Corrected Density Functional Theory Calculations
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
Scaling Dynamical Correlation Energy From Density Functional Theory Correlation Functionals†
Journal of Physical Chemistry A
Medicine
Theoretical Chemistry
Physical
Refining Crystal Structures With Quadrupolar NMR and Dispersion-Corrected Density Functional Theory
Adsorption and Desulfurization Mechanism of Thiophene on Layered FeS(001), (011), and (111) Surfaces: A Dispersion-Corrected Density Functional Theory Study
Dehydrogenation Free Energy of Co2+(aq) From Density Functional Theory-Based Molecular Dynamics
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
PEDOT Chain Length and Excitation Energy Dependence From Time-Dependent Density Functional Theory
Revista Processos Químicos
Density Functional Theory
Photosynthesis Research
Medicine
Biochemistry
Plant Science
Cell Biology
