Chemistry
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Dr. Yaoming Xie

Professor
Chemistry
Center for Computational Chemistry
Georgia

Dr. Yaoming Xie

Biography

Dr. Dr. Yaoming Xie is currently working as a Professor in the Department of Chemistry, Center for Computational Chemistry , Georgia. His research interests includes These studies consist of a variety of topics, including harmonic or anharmonic force fields, NMR chemical shifts, electron affinities, aromaticity, and the potential energy hypersurfaces of different systems.. He  is serving as an editorial member and reviewer of several international reputed journals. Dr. Dr. Yaoming Xie is the member of many international affiliations. He has successfully completed his Administrative responsibilities. He has authored of many research articles/books related to These studies consist of a variety of topics, including harmonic or anharmonic force fields, NMR chemical shifts, electron affinities, aromaticity, and the potential energy hypersurfaces of different systems..

Research Interest

My research at the CCQC has included applications and programming of various methods in quantum theory. These studies consist of a variety of topics, including harmonic or anharmonic force fields, NMR chemical shifts, electron affinities, aromaticity, and the potential energy hypersurfaces of different systems. Currently, I am interested in the nature of novel bonding situations involving main group elements or transition metals, the properties of base pairs, nucleosides, and nucleotides, as well as the investigation of the merits and the limitations of density functional theory. It has been pleasing to collaborate with experimentalists to solve problems of common interest. Now, I am working with some colleagues on main group metal clusters, transition metal carbonyls, the trend of singlet-triplet separation for some conjugate systems, and properties of some nucleosides and nucleotides, etc.

Publications

  • "On the Chemistry of Zn-Zn Bonds, RZn-ZnR (R = [(2,6-Pri2H3C6)N(Me)C2CH]: Synthesis, Structure, and Computations", Y.-Z. Wang, X.-J. Yang, G. H. Robinson, H.-Y. Wang; Y. Xie, and H. F. Schaefer, J. Am. Chem. Soc. 127, 11944 (2005).

  • "Characteristics of Novel Sandwiched Beryllium, Magnesium, and Calcium Dimers: C5H5BeBe C5H5, C5H5MgMg C5H5, and C5H5CaCa C5H5", Y. Xie, H. F. Schaefer, and E. D. Jemmis, Chem. Phys. Lett. 402, 414 (2005).

  • "The Dichotomy of Dimetallocenes: Coaxial versus Perpendicular Dimetal Units in Sandwich Compounds", Y. Xie, H. F. Schaefer, and R. B. King, J. Am. Chem. Soc. 127, 2818 (2005).

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