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Catherine Moulder

Catherine Moulder

Catherine Moulder is a second year graduate student in Dr. Cundari's research group. She is working on computational chemistry studies of bond lengths and energies for metal oxo, imido and alkylidene complexes to compare the data found in MCSCF calculations with that of DFT and the known crystal structures, and a variety of smaller projects.

Catherine received her BS in chemistry, University of North Texas, Denton TX, May 2017. She also received BS Mathematics, University of North Texas, Denton TX, May 2017, minor in Philosophy.

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Publications

  • 5d Metal(IV) Imide Complexes. The Impact (or Lack Thereof) of d-Orbital Occupation on Methane Activation and Functionalization Moulder, C.; Cundari, T. R. Inorg. Chem. , 2017, 56,1823–1829. DOI: 10.1021/acs.inorgchem.6b02157
  • A DFT Survey of the Effects of d‐Electron Count and Metal Identity on the Activation and Functionalization of C−H Bonds for Mid to Late Transition Metals Moulder, C.; Cundari, T. R. Isr. J. Chem., 2017, 57,1023–1031. DOI: 10.1002/ijch.201700066

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University of North Texas, Denton

Department of Chemistry

Center for Advanced Scientific Computing and Modeling

1155 Union Circle, #305070

Denton, TX 76203-5017