Phone: (949) 824-6303
Fax: (949) 824-8571
Email: batesj[at]uci.edu
Office: NSII 2210

B.S., College of William and Mary, Chemistry, 2008.
Pedagogical Fellowship, Univ. California Irvine, 2011-2012.

My research interests are focused on the design and characterization of inorganic compounds for artificial photosynthesis and future energy sources. I enjoy learning everything I can about quantum mechanics and its application to molecular systems. I am currently working in conjunction with the Evans group here at UCI to model novel heavy metal compounds and their properties.

My present research involves establishing a gauge-invariant time dependent current-density functional theory (TDCDFT) based around the use of modified meta-GGA functionals. Concomitantly, I am involved with developing the Random Phase Approximation as a practical post-KS correlation method. Through the combination of many-body methods, and basis set implementations, I will develop rigorous perturbative corrections to RPA which systematically improve upon RPA results.

I am also interested in education, and the teaching of chemistry. By incorporating small group activities, peer-teaching, and technology into the classroom, I hope to make chemistry accessible to all types of learners. I also volunteer for Rocket Science Tutors, an organization focused on creating interest in science, technology, engineering, and mathematics (STEM) disciplines for middle school students from underrepresented minorities through inquiry based learning.

1. Dinitrogen Reduction via Photochemical Activation of Heteroleptic Tris(cyclopentadienyl) Rare-Earth Complexes
   M. E. Fieser, J. E. Bates, J. W. Ziller, F. Furche, W. J. Evans
   J. Am. Chem. Soc., 2013, 135, 3804-3807.
   doi:10.1021/ja400664s
   
2. Harnessing the meta-generalized gradient approximation for time-dependent density functional theory
   J. E. Bates, F. Furche
   J. Chem. Phys., 137 164105 (2012)
   doi:10.1063/1.4759080, Editor's Choice 2012
   
3. Density Functional Theory and X-ray Analysis of the Structural Variability in η⁵,η⁵,η¹-Tris(ring) Rare Earth/Actinide Tetramethylpyrrolyl Complexes, (C₅Me₅)₂M(NC₄Me₄)
   C. L. Webster, J. E. Bates, M. Fang, J. W. Ziller, F. Furche, W. J. Evans
   Inorg. Chem., 2013, 52, 3565–3572
   doi:10.1021/ic300905r
   
4. Varying the Lewis Base Coordination of the Y₂N₂ Core in the Reduced Dinitrogen Complexes {[(Me₃Si)₂N]₂(L)Y}₂(μ-η²:η²-N₂) (L = Benzonitrile, Pyridines, Triphenylphosphine Oxide, and Trimethylamine N-Oxide)
   J. F. Corbey, J. H. Farnaby, J. E. Bates, J. W. Ziller, F. Furche, and W. J. Evans
   Inorg. Chem., 51, 7867 (2012).
   doi:10.1021/ic300934g
   
5. Expanding Rare-Earth Oxidation State Chemistry to Molecular Complexes of Holmium(II) and Erbium(II)
   Matthew R. MacDonald, Jefferson E. Bates, Megan E. Fieser, Joseph W. Ziller, Filipp Furche, and William J. Evans
   J. Am. Chem. Soc. 2012, 134, 8420–8423.
   doi:10.1021/ja303357w
   
6. Electron correlation methods based on the random phase approximation
   H. Eshuis, J. E. Bates, F. Furche
   Theor. Chem. Acc. 131 1084 (2012)
   doi:10.1007/s00214-011-1084-8
   
7. Isolation of (CO)^1– and (CO2)^1– Radical Complexes of Rare Earths via Ln(NR₂)₃/K Reduction and [K₂(18-crown-6)₂]²⁺ Oligomerization
   Ming Fang, Joy H. Farnaby, Joseph W. Ziller, Jefferson E. Bates, Filipp Furche, and William J. Evans
   J. Am. Chem. Soc. 2012, 134, 6064–6067.
   doi:10.1021/ja211220r
   
8. Synthesis, Structure, and Physical Properties for a Series of Trigonal Bipyramidal M^II-Cl Complexes with Intramolecular Hydrogen Bonds
   N. S. Sickerman, Y. J. Park, G. K.-Y. Ng, J. E. Bates, M. Hilkert, J. W. Ziller, F. Furche, A. S. Borovik
   Dalton Trans. (2012), in press
   doi:10.1039/C2DT12244H
   
9. Synthesis of the (N₂)^3- Radical from Y²⁺ and Its Protonolysis Reactivity To Form (N₂H₂)^2- via the Y[N(SiMe₃)₂]₃/KC₈ Reduction System
   M. Fang, D.S. Lee, J.W. Ziller, R.J. Doedens, J.E. Bates, F. Furche, W.J. Evans
   J. Am. Chem. Soc. 133 3784-3787 (2011)
   doi:10.1021/ja1116827
   
10. (N₂)^3- Radical Chemistry via Trivalent Lanthanide Salt/Alkali Metal Reduction of Dinitrogen: New Syntheses and Examples of (N₂)^2- and (N₂)^3- Complexes and Density Functional Theory Comparisons of Closed Shell Sc³⁺, Y³⁺, and Lu³⁺ versus 4f⁹ Dy³⁺
    M. Fang, J.E. Bates, S.E. Lorenz, D.S. Lee, R.B. Rego, J.W. Ziller, F. Furche, W.J. Evans
    Inorg. Chem. 50 1459-1469 (2011)
    doi:10.1021/ic102016k
    
11. Isolation of a radical dianion of nitrogen oxide (NO)^2-
    W. J. Evans, M. Fang, J. E. Bates, F. Furche, J. W. Ziller, M.D. Kiesz, J.I. Zink
    Nat. Chem. 8 644 (2010)
    doi:10.1038/nchem.701
    

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