John D. Watts


 watts 1400 J. R. Lynch Street, P.O. Box 17910
Jackson, MS39217-0510



Physical location:
John A. Peoples Science Building
Office: room #505

Tel: (601) 979-3488
Fax: (601) 979-3674


General Chemistry Parts 1 and 2 (CHEM 141 and CHEM 142)
General Chemistry Laboratory Parts 1 and 2 (CHML 141 and CHML 142)
Atomic and Molecular Spectroscopy (CHEM 752)
Molecular Quantum Mechanics (CHEM 768)

Research Interests:

Quantum Chemistry: Our research interests are in two main areas: (1) the application of predictive quality methods, particularly coupled-cluster methods. Areas of current interest include free radicals, excited states, and other transient species that may be involved in atmospheric chemistry and biological systems, and the structure and spectroscopy of transition metal complexes; (2) studies of metal-porphyrin systems, mainly using density-functional methods.  

Selected publications (Click here For Full list of Publications)

  1. B Napolion, JD Watts, MJ Huang, FM McFarland, EE McClendon, WL Walters, QL Williams, Accurate theoretical predictions for carbonyl diazide molecules: A coupled-cluster study of the potential energy surface and thermochemical properties, Chemical Physics Letters 559, 18-25, 2013.
  2. MJ Huang, JD Watts, Theoretical study of triatomic silver (Ag3) and its ions with coupled-cluster methods and correlation-consistent basis sets, Physical Chemistry Chemical Physics 14 (19), 6849-6855, 2012.
  3. MS Liao, MJ Huang, JD Watts, Factors that distort the heme structure in Heme-Nitric Oxide/OXygen-Binding (H-NOX) protein domains. A theoretical study, Journal of inorganic biochemistry, 118, 28-38, 2012.
  4. B Napolion, F Hagelberg, MJ Huang, JD Watts, TM Simeon, D Vereen, WL Walters, QL Williams, Theoretical investigation into the structural, thermochemical, and electronic properties of the decathio[10]circulene, Journal of Physical Chemistry A, 115 (31), 8682-8690, 2011.
  5. Meng-Sheng Liao, Ming-Ju Huang, and John D. Watts, “Iron Porphyrins with Different Imidazole Ligands. A Theoretical Comparative Study”, J. Phys. Chem. A. 114 (35), 9554-9569, 2010.
  6. Meng-Sheng Liao, John D. Watts, and Ming-Ju Huang, “Supramolecular Interactions of Fullerenes with (Cl)Fe- and Mn Porphyrins. A Theoretical Study”, Phys. Chem. Chem. Phys., 11, 6072-6081, 2009.
  7. Meng-Sheng Liao, John D. Watts, and Ming-Ju Huang, “Assessment of Dispersion Corrections in DFT Calculations on C60-Porphyrin Complexes”, Phys. Chem. Chem. Phys., 11, 4365-4374, 2009.
  8. John D. Watts, David J. Watts, and Ming-Ju Huang, “Theoretical Study of the Tautomerism, Structures, and Vibrational Frequencies of the Phosphaalkenes XP=C(CH3)2 (X = H, F, Cl, Br, OH, ArF (ArF = 2,6-(CF3)2C6H3))”, J. Phys. Chem. A, 113(10), 1886-1891, 2009.
  9. J. D. Watts, “An Introduction to Equation-of-Motion and Linear-Response Coupled-Cluster Methods for Electronically Excited States of Molecules”, in Radiation Induced Molecular Phenomena in Nucleic Acids; M. K. Shukla and J. Leszczynski, Eds.; Springer, 2008, pp. 65-92.
  10. Brian Napolion, Ming-Ju Huang, and John D. Watts*, “Coupled-Cluster Study of Isomers of H2SO2”, J. Phys. Chem. A 112, 4158-4164, 2008.