| Mapping the 3D orientation of piconewton integrin traction forces JM Brockman, AT Blanchard, V Pui-Yan, WD Derricotte, Y Zhang, ME Fay, ... Nature methods 15 (2), 115-118, 2018 | 116 | 2018 |
| Simulation of X-ray absorption spectra with orthogonality constrained density functional theory WD Derricotte, FA Evangelista Physical Chemistry Chemical Physics 17 (22), 14360-14374, 2015 | 67 | 2015 |
| Predicting near edge X-ray absorption spectra with the spin-free exact-two-component Hamiltonian and orthogonality constrained density functional theory P Verma, WD Derricotte, FA Evangelista Journal of Chemical Theory and Computation 12 (1), 144-156, 2016 | 48 | 2016 |
| Symmetry-adapted perturbation theory decomposition of the reaction force: Insights into substituent effects involved in hemiacetal formation mechanisms WD Derricotte The Journal of Physical Chemistry A 123 (36), 7881-7891, 2019 | 13 | 2019 |
| Localized intrinsic valence virtual orbitals as a tool for the automatic classification of core excited states WD Derricotte, FA Evangelista Journal of Chemical Theory and Computation 13 (12), 5984-5999, 2017 | 13 | 2017 |
| Intramolecular proton transfer in the isomerization of hydroxyacetone: Characterization based on reaction force analysis and the bond fragility spectrum HV Joseph, WD Derricotte International Journal of Quantum Chemistry 120 (17), e26269, 2020 | 2 | 2020 |
| Development and Applications of Orthogonality Constrained Density Functional Theory for the Accurate Simulation of X-Ray Absorption Spectroscopy WD Derricotte Ph. D. Thesis, 2017 | | 2017 |
| Restricted excitation window orthogonality constrained density functional theory: Application to the near-edge x-ray absorption spectra of chemisorbed and solvated molecules W Derricotte, F Evangelista ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016 | | 2016 |
| Simulating X-ray, UV, and VIS absorption spectra with orthogonality constrained density functional theory F Evangelista, W Derricotte ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 249, 2015 | | 2015 |
| Relativistic variational density functional theory of electronic excited states F Evangelista, W Derricotte, P Verma ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 249, 2015 | | 2015 |
Francesco EvangelistaProfessor, Emory UniversityVerified email at emory.edu
