Found 4 results
Filters: Author is Lansford, Joshua L. [Clear All Filters]
2021
S. J. Kurdziel, Lansford, J. L., and Vlachos, D. G., “Prediction of Transition-State Scaling Relationships and Universal Transition-State Vibrational and Entropic Correlations for Dehydrogenations”, The Journal of Physical Chemistry, vol. 125, pp. 19780-19790, 2021.
J. L. Lansford, Kurdziel, S. J., and Vlachos, D. G., “Scaling of Transition State Vibrational Frequencies and Application of d-Band Theory to the Brønsted-Evans-Polanyi Relationship on Surfaces”, Journal of Physical Chemistry C, vol. 125, pp. 7119-7129, 2021.
2020
J. Feng, Lansford, J. L., Katsoulakis, M. A., and Vlachos, D. G., “Explainable and trustworthy artificial intelligence for correctable modeling in chemical sciences”, Science Advances, vol. 6, pp. 3204-3218, 2020.
J. L. Lansford and Vlachos, D. G., “Spectroscopic Probe Molecule Selection Using Quantum Theory, First-Principles Calculations, and Machine Learning”, ACS Nano, vol. 14, pp. 17295–17307, 2020.