Fernando D. Vila, Ph.D.
Affiliations: | University of Pittsburgh, Pittsburgh, PA, United States |
Area:
Theoretical ChemistryGoogle:
"Fernando Vila"Mean distance: 9.22 | S | N | B | C | P |
Parents
Sign in to add mentor| Kenneth D. Jordan | grad student | 2000 | University of Pittsburgh | |
| (Electron -molecule interactions.) | ||||
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Publications
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| Rehr JJ, Vila FD, Kas JJ, et al. (2020) Equation of motion coupled-cluster cumulant approach for intrinsic losses in x-ray spectra. The Journal of Chemical Physics. 152: 174113 |
| Asundi AS, Hoffman AS, Bothra P, et al. (2019) Understanding Structure-Property Relationships of MoO-Promoted Rh Catalysts for Syngas Conversion to Alcohols. Journal of the American Chemical Society |
| Story SM, Vila FD, Kas JJ, et al. (2019) Corvus: a framework for interfacing scientific software for spectroscopic and materials science applications. Journal of Synchrotron Radiation. 26: 1694-1704 |
| Travnikova O, Patanen M, Söderström J, et al. (2019) Energy Dependent Relative Cross Sections in Carbon 1 Photoionization. Separation of Direct Shake and Inelastic Scattering Effects in Single Molecules. The Journal of Physical Chemistry. A |
| Vila FD, Spencer JW, Kas JJ, et al. (2018) Extended X-Ray Absorption Fine Structure of ZrWO: Theory vs. Experiment. Frontiers in Chemistry. 6: 356 |
| Vimolchalao S, Liang WH, Vila FD, et al. (2018) Bethe-Salpeter Equation calculations of nitrogen-vacancy defects in diamond Journal of Physics and Chemistry of Solids. 122: 87-93 |
| Pemmaraju C, Vila F, Kas J, et al. (2018) Velocity-gauge real-time TDDFT within a numerical atomic orbital basis set Computer Physics Communications. 226: 30-38 |
| Fossard F, Hug G, Gilmore K, et al. (2017) Quantitative first-principles calculations of valence and core excitation spectra of solid C. Physical Review. B. 95 |
| Vila FD, Hayashi ST, Moore JM, et al. (2016) Molecular dynamics simulations of supported pt nanoparticles with a hybrid Sutton-Chen potential Journal of Physical Chemistry C. 120: 14883-14891 |
| Beckwith MA, Ames W, Vila FD, et al. (2015) How Accurately Can Extended X-ray Absorption Spectra Be Predicted from First Principles? Implications for Modeling the Oxygen-Evolving Complex in Photosystem II. Journal of the American Chemical Society |