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The Journal of Physical Chemistry. A|May 19, 2017
Predicting Chemical Reactivity from the Charge Density through Gradient Bundle Analysis: Moving beyond Fukui FunctionsAmanda Morgenstern, Timothy R Wilson, M E Eberhart
The Journal of Physical Chemistry. B|November 16, 2022
Bond Bundle Analysis of Ketosteroid IsomeraseTimothy R Wilson, Amanda Morgenstern, Anastassia N Alexandrova, et al.
The Journal of Physical Chemistry. A|December 15, 2021
Electron Density Geometry and the Quantum Theory of Atoms in MoleculesTimothy R Wilson, Anastassia N Alexandrova, M E Eberhart
Physical Chemistry Chemical Physics : PCCP|February 3, 2016
The influence of zero-flux surface motion on chemical reactivityAmanda Morgenstern, Charles Morgenstern, Jonathan Miorelli, et al.
Proceedings of the National Academy of Sciences of the United States of America|October 25, 2024
Electric fields imbue enzyme reactivity by aligning active site fragment orbitalsM E Eberhart, Timothy R Wilson, T E Jones, et al.
The Journal of Physical Chemistry. A|May 18, 2023
Gradient Bundle Analysis of Electric Field Induced Changes in Electron Charge DensityLogan Epperson, Megan Mascarenas, Amanda Morgenstern
Nature Materials|October 7, 2004
Looking for design in materials designM E Eberhart, D P Clougherty
Physical Chemistry Chemical Physics : PCCP|May 18, 2022
Neighborhoods and functionality in metalsM Rajivmoorthy, T R Wilson, M E Eberhart
Chemical Science|October 4, 2017
Quantified electrostatic preorganization in enzymes using the geometry of the electron charge densityAmanda Morgenstern, Matthew Jaszai, Mark E Eberhart, et al.
Physical Chemistry Chemical Physics : PCCP|November 15, 2016
Predictive methods for computational metalloenzyme redesign - a test case with carboxypeptidase ACrystal E Valdez, Amanda Morgenstern, Mark E Eberhart, et al.
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