Dr. Zhenyu Li

Computational Molecular and Material Science

Conference Abstracts

Representative publications in recent years

Probing Electron Correlations in Molecules by Two-Dimensional Coherent Optical Spectroscopy, J. Am. Chem. Soc. 130, 3509 (2008)
Orbital interaction mechanisms of conductance enhancement and rectification by dithiocarboxylate anchoring group, J. Phys. Chem. B 110, 19116 (2006)
Is Mayenite without Clathrated Oxygen an Inorganic Electride? Angew. Chem. Int. Ed. 43, 6479 (2004)
First-principles lattice dynamics of NaCoO2, Phys. Rev. B 70, 144518 (2004)
Inorganic Electride: Theoretical Study on Structural and Electronic Properties, J. Am. Chem. Soc. 125, 6050 (2003)

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