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Publications

2008

6) J. T. Lyon, L. Andrews, H.-S. Hu, J. Li, "Infrared Spectra and Electronic Structures of Agostic Uranium Methylidene Molecules", Inorg. Chem. 2008, 47(5), 1435−1442, DOI: 10.1021/ic701786h

5) H. Xiao, J. Li, "Benchmark Calculations on the Atomization Enthalpy, Geometry and Vibrational Frequencies of UF6 with Relativistic DFT Methods",  Chin. J. Struct. Chem. 2008, 27(8), 967−974.

4) Y. Zhao, J. Su, Y. Gong, J. Li, M. Zhou, "Noble-Gas-Induced Disproportionation Reactions: Facile Superoxo-to-Peroxo Conversion on Chromium Dioxide", J. Phys. Chem. A 2008, 112(37), 8606−8611, DOI:10.1021/jp804995d

3) H.-J. Zhai, L.-L. Pan, B. Dai, B. Kiran, J. Li, L.-S. Wang, "Chemisorption-Induced Structural Changes and Transition from Chemisorption to Physisorption in Au6(CO)n (n=4-9)", J. Phys. Chem. C 2008, 112(31), 11920−11928, DOI:10.1021/jp803161b

2) L.-L. Pan, J. Li, L.-S. Wang, “Low-Lying Isomers of the B9 Boron Cluster: The Planar Molecular Wheel Versus Three-Dimensional Structures”, J. Chem. Phys. 2008, 129(2), 024302, DOI:10.1063/1.2948405

1) C. R. De Silva, J. Li, Z. Zheng, L. R. Corrales, “Correlation of Calculated  Excited-State Energies and Experimental Quantum Yields of Luminescent Tb(III) β-diketonates”, J. Phys. Chem. A 2008, 112(20), 4527-4530, DOI: 10.1021/jp8002799. (Featured on the cover of JPCA issue 20, 2008.)

 

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