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Dr. Fu-Ming Tao

Professor Physical Chemistry
On sabbatical Spring 2017

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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.

 

Office: MH-539A
Phone:(657) 278-4517
Lab: MH-539
Phone: (657) 278-5500
Email: This email address is being protected from spambots. You need JavaScript enabled to view it.


Courses Taught

  • 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.


Selected 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).