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Department of Chemistry & Biochemistry Faculty

Teaching

CHEM 210 Computational Tools for Chemical Sciences
CHEM 361B Introduction to Physical Chemistry
CHEM 371A/B Physical Chemistry
CHEM 410C Computational Chemistry
CHEM 551 Quantum Chemistry

Education

Postdoctoral Harvard University, Cambridge, MA
Postdoctoral Brown University, Providence, RI
Ph.D. Boston College, Chestnut Hill, MA
M.Sc. Suzhou University, Suzhou, PRC
B.Sc. University of Science and Technology of China, Hefei, PRC

Research Interests

Theoretical study of molecular structure and interactions using advanced computational programs and technologies; application of computational chemistry to the investigation of environmental and biological problems, in collaboration with experimental scientists.

Tao Group Activities

May 2011: Dr. Fu-Ming Tao was awarded with the Outstanding Research Award at the 28th Annual Awards Reception. Dr. Tao is an exceptionally talented and dedicated researcher in the field of theoretical studies of molecular structure and interactions. Since 2005, he has published 34 papers in the top international journals, including 16 with student co-authors. His recent grant from the National Science Foundation for fundamental studies of nitrogen containing species acknowledges the creativity of the computational approach, the high level of his accomplishments so far, and his stature in the field.

Recent Publications

L. Tao, J. Han, and F.-M. Tao, "Correlations and Predictions of Carboxylic Acid pKa Values Using Intermolecular Structure and Properties of Hydrogen-Bonded Complexes," J. Phys. Chem. 112, 775-782 (2008).

Y.-Y. Zhao, F.-M. Tao, and E.Y. Zeng, "Theoretical study on the chemical properties of polybrominated diphenyl ethers," Chemosphere. 70, 901-907 (2008)

Y. Ding, Y. Mei, J.Z.H. Zhang, and F.-M. Tao,"The Use of Bond Function in pi − pi Interactions: the Benzene Dimer," Comput. Chem. 29, 275-279 (2008).

Y.-Y. Zhao, E.Y. Zeng, and F.-M. Tao, "Structures, Reductive Dechlorination, and Electron Affinities of Selected Polychlorinated Dibenzo-p-Dioxins: A Density Functional Theory Study," J. Phys. Chem. 111, 11638-11644 (2007).

Z.-Y. Yang, Y.-Y. Zhao, F.-M. Tao, Y. Ran, B.-X. Mai, and E.Y. Zeng, "Physical origin for the nonlinear sorption of very hydrophobic organic chemicals in a membrane-like polymer film," Chemosphere. 69, 1518-1524 (2007).

C. Men and F.-M. Tao, "Hydration and dissociation of calcium hydroxide in water clusters: A quantum chemical study," J. Theoretical and Computational Chem. 6, 959-609 (2007).

G. C. Tiu and F.-M. Tao, "Theoretical mechanisms and kinetics of the hydrogen abstaraction reaction of acetone by chlorine radical," Chem. Phys. Lett. 428 42-48 (2006).

S. Li, R. Gu, and F.-M. Tao, "Ionic Dissociation of Halosulfonic Acids in Small WAter Clusters: A Theoretical Study," Chem. Phys. Lett. 426, 1-7 (2006).

J. Jee and F.-M. Tao, "Reaction Mechanism and Kinetics for the Oxidations of Dimethyl Sulfide, Dimethyl Disulfide, and Methyl Mercaptan by the Nitrate Radical," J. Phys. Chem. 110, 7682-7689 (2006).

S. Li, K.H. Weber, R. Gu, and F.-M. Tao, "Theoretical Investigation of Ionic Dissociations of Fuorosulfonic Acid in Microsolvated Clusters," Chem. Phys. 323, 397-406 (2006).

J. Jee and F.-M. Tao, "Reaction Mechanism and Kinetics for the Oxidation of Dimethyl Sulfide by Nitrate Radical," Chem. Phys. Lett. 420, 336-339 (2006).

J. Han and F.-M. Tao, "Correlations and Predictions of pKa Values of Fluorophenols and Bromophenols Using Hydrogen-Bonded Complexes with Ammonia," J. Phys. Chem. A, 110, 257-263 (2006).

S. Li, R. Gu, and F.-M. Tao, "Theoretical Investigation of Structures of the Halo-sulfonic Acids-Ammonia Systems and the Effect of Water Molecule in the Gas Phase," Chem. Phys. Lett. 417, 434-440 (2006).

J. Han, H. Lee, and F.-M. Tao, "Molecular Structures and Properties of the Complete Series of Bromophenols: Density Functional Theory Calculations," J. Phys. Chem. A, 109, 5186-5192 (2005).