**Intramolecular Proton Transfer in the Isomerization of Hydroxyacetone: A Detailed Characterization Based on Reaction Force Analysis and the Bond Fragility Spectrum**

H. Joseph and W. Derricotte

*International Journal of Quantum Chemistry*
*2020*

**Symmetry-Adapted Perturbation Theory Decomposition of the Reaction Force: Insights into Substituent Effects Involved in Hemiacetal Formation Mechanisms**

W. Derricotte

*The Journal of Physical Chemistry A*
*2019*

**Mapping the 3D Orientation of Piconewton Integrin Traction Forces**

J. Brockman, A. Blanchard, V. Ma, W. Derricotte, Y. Zhang, W. Lam, F. Evangelista, K. Salaita, A. Mattheyses

*Nature Methods*
*2018*

**Localized Intrinsic Valence Virtual Orbitals for the Automated Interpretation of Core Excited States**

W. Derricotte and F. Evangelista

*The Journal of Chemical Theory and Computation*
*2017*

**Development and Applications of Orthogonality Constrained Density Functional Theory for the Accurate Simulation of X-Ray Absorption Spectroscopy**

W. Derricotte

*PhD Thesis Emory University*
*2017*

**Predicting Near Edge X-ray Absorption Spectra with the Spin-Free Exact-Two-Component Hamiltonian and Orthogonality Constrained Density Functional Theory.**

P. Verma, W. Derricotte, F. Evangelista

*The Journal of Chemical Theory and Computation*
*2016*

**Simulation of X-Ray Absorption Spectra with Orthogonality Constrained Density Functional Theory.**

W. Derricotte and F. Evangelista

*Physical Chemistry Chemical Physics*
*2015*