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机译:
Department of Chemistry and Biochemistry,National Chung-Cheng University,Ming-Hsiung,ChiaYi-621,Taiwan;
机译:Optoelectronic Properties of TiS2: A Never Ended Story Tackled by Density Functional Theory and Many-Body Methods
机译:Study of self-interaction errors in density functional predictions of dipole polarizabilities and ionization energies of water clusters using Perdew-Zunger and locally scaled self-interaction corrected methods
机译:Self-interaction correction, electrostatic, and structural influences on time-dependent density functional theory excitations of bacteriochlorophylls from the light-harvesting complex 2
机译:基于U-D分解的复参数最小二乘估计方法(U-D factorization Based Least Squares Methods for Complex Estimation)
机译:Theoretical studies of ground and excited electronic states in a series of heteroleptic iridium complexes using density functional theory