Mark E. Eberhart
Affiliations: | Chemistry and Geochemistry | Colorado School of Mines, Golden, CO, United States |
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Publications
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Wilson TR, Rajivmoorthy M, Goss J, et al. (2019) Observing the 3D chemical bond and its energy distribution in a projected space. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry |
Fuller J, Wilson TR, Eberhart ME, et al. (2019) Charge Density in Enzyme Active Site as a Descriptor of Electrostatic Preorganization. Journal of Chemical Information and Modeling |
Wilson TR, Eberhart M. (2019) Quantum theory of atoms in molecules in condensed charge density space Canadian Journal of Chemistry. 97: 757-762 |
Goss J, Wilson T, Morgenstern A, et al. (2018) Charge density analysis attending bond torsion: A bond bundle case study International Journal of Quantum Chemistry. 118: e25783 |
Morgenstern A, Jaszai M, Eberhart ME, et al. (2017) Quantified electrostatic preorganization in enzymes using the geometry of the electron charge density. Chemical Science. 8: 5010-5018 |
Morgenstern A, Wilson TR, Eberhart ME. (2017) Predicting Chemical Reactivity from the Charge Density through Gradient Bundle Analysis: Moving Beyond Fukui Functions. The Journal of Physical Chemistry. A |
Eberhart ME. (2017) Are metals made from molecules? Structural Chemistry. 28: 1409-1417 |
Morgenstern A, Morgenstern C, Miorelli J, et al. (2016) The influence of zero-flux surface motion on chemical reactivity. Physical Chemistry Chemical Physics : Pccp |
Morgenstern A, Eberhart M. (2016) Bond dissociation energies from the topology of the charge density using gradient bundle analysis Physica Scripta. 91: 023012 |
Miorelli J, Caster A, Eberhart ME. (2016) Using Computational Visualizations of the Charge Density To Guide First-Year Chemistry Students through the Chemical Bond Journal of Chemical Education. 94: 67-71 |