Ed Brothers is an associate professor and the Science Program Chair whose research interests center on developing a practical quantum chemistry. To this end his work is primarily developing new and fast methods in density functional theory, as well as applying methods like this to molecular reaction barriers and solid band gaps.
- Malenov, D. P., Veljković, D., Hall, M. B., Brothers, E. N., & Zarić, S. D. (2019). Influence of chelate ring type on chelate–chelate and chelate–aryl stacking: the case of nickel bis(dithiolene). Physical Chemistry Chemical Physics. 21(3), 1198-1206.
- Ðorđević, V., Sredojević, D. N., Dostanić, J., Lončarević, D., Ahrenkiel, S. P., Švrakić, N., ... Nedeljković, J. M. (2019). Visible light absorption of surface-modified Al2O3 powders: A comparative DFT and experimental study. Microporous and Mesoporous Materials. 273, 41-49.
- Krokidas, P., Moncho, S., Brothers, E. N., Castier, M., Jeong, H., & Economou, I. G. (2018). On the Efficient Separation of Gas Mixtures with the Mixed-Linker Zeolitic-Imidazolate Framework-7-8.. ACS Applied Materials & Interfaces. 10(46), 39631-39644.
- Mahler, A., Janesko, B. G., Moncho, S., & Brothers, E. N. (2018). When Hartree-Fock exchange admixture lowers DFT-predicted barrier heights: Natural bond orbital analyses and implications for catalysis.. Journal of Chemical Physics. 148(24), 244106-244106.
- Guan, J., Zarić, S. D., Brothers, E. N., & Hall, M. B. (2018). Recent computational studies on transition‐metal carbon–hydrogen bond activation of alkanes. International Journal of Quantum Chemistry. 118(9), e25605-e25605.
- Kwon, H. T., Krokidas, P., Castier, M., Economou, I. G., Escriva, S. M., Sredojevic, D., Brothers, E., & Jeong, H. K. (2015). Heteroepitaxially-grown zeolitic imidazolate framework membranes with unprecedented propylene/propane separation performance. 2, 1003-1004.
- Sohail, M., Moncho, S., Brothers, E. N., Bengali, A. A., Li, B. o., Kyran, S. J., & Darensbourg, D. (2014). Light enhanced displacement of methylacrylate from iron carbonyl: Investigation of the reactive intermediate via rapid-scan FTIR and computational studies. ACS National Meeting Book of Abstracts. 247,
- Brothers, E. N. (2013). Using energy surfaces to investigate the limitations of reaction barrier benchmarks done with fixed geometries. ACS National Meeting Book of Abstracts. 246,
- Hall, M. B., Dang, L. i., Shibl, M. F., Yang, X., Alak, A., Harrison, D. J., ... Zhou, J. (2012). Mechanism of the reaction of nickel bis(dithiolenes) with alkenes. ACS National Meeting Book of Abstracts. 244,
- Brothers, E. N. (2012). Reactions of ethylene with dithiolene, nickel (bis)sithiolene, and related compounds, studied with density functional theory. ACS National Meeting Book of Abstracts. 243,