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机译:
School of Optical and Electronic Information, Huazhong University of Science and Technology, No. 1037 Luoyu Road, Hongshan District, Wuhan City, Hubei Province 430074, People's Republic of China;
机译:Rearrangement of aniline(H2O)n(n = 0-12)clusters upon photoionization and their excited state properties:Density functional theory and time-dependent density functional theory study
机译:Nature of transannular intramolecular interactions in group 4 and 6 metallatranes: A combined density functional theory and atoms in molecules theory study
机译:A density functional theory study of adsorption and dissociation of H2 molecule on small PdnAgm (n + m ≤ 4) metal clusters
机译:Density Functional Theory study on Electron and Hole Transport properties of Organic pentacene Derivatives with Electron-Withdrawing substituent