Benjamin Janesko, Ph.D.
b.janesko@tcu.edu817-257-6202SWR 428 (map link)
Program Affiliations
Education
Ph. D., Chemistry, Carnegie Mellon University, 2005
BS, Chemistry, Allegheny College, 1999
Areas of Focus
- Simulation of chemical reaction mechanisms
- Electronic structure theory methods development
- Interpretive tools for quantum chemistry
Janesko, B. G., Verma, P., Scalmani, G., Frisch, M. J., Truhlar, D. G., “M11plus, a Range-Separated Hybrid Meta Functional Incorporating Nonlocal Rung-3.5 Correlation, Exhibits Broad Accuracy on Diverse Databases”, J. Phys. Chem. Lett. (2020), 11 (8), 3045-3050, doi: 10.1021/acs.jpclett.0c00549
Enciso, A. E., Lorandi, F., Mehmood, A., Fantin, M., Szczepaniak, G., Janesko, B. G., Matyjaszewski, K., "p‐Substituted Tris(2‐pyridylmethyl)amines as Ligands for Highly Active ATRP Catalysts: Facile Synthesis and Characterization", Angew. Chem. Int. Ed. (2020), 59 (35), 14910-14920, doi: 10.1002/anie.202004724
Verma, P., Janesko, B. G., Wang, Y., He, X., Scalmani, G., Frisch, M. J., Truhlar, D. G., “M11plus: A Range-Separated Hybrid Meta Functional with Both Local and Rung-3.5 Correlation Terms and High Across-The-Board Accuracy for Chemical Applications”, J. Chem. Theory Comput. (2019), 15 (9), 4804-4815, doi: 10.1021/acs.jctc.9b00411
Janesko, B. G., “Coupled alkali halide color centers: Fractional charge errors, fractional spin errors, and a failure of spin symmetry breaking produce challenging tests for condensed-phase electronic structure calculations”, J. Chem. Phys.(2019), 151 (6), 064109, doi: 10.1063/1.5111146
Wang, M., John, D., Yu, J.-G., Proynov, E., Liu, F., Janesko, B. G., Kong, J., “Performance of new density functionals of nondynamic correlation on chemical properties”, J. Chem. Phys. (2019), 150 (20), 204101, doi: 10.1063/1.5082745
Janesko, B. G., Scalmani, G., Frisch, M. G., “Density functionals for nondynamical correlation construted from an upper bound to the exact exchange energy density”, Mol. Phys. (2019), 117 (9-12), 1226-1241, doi: 10.1080/00268976.2018.1535673
Janesko, B. G., Proynov, E., Kong, J., Scalmani, G., Frisch, M. J., “Practical Density Functionals Beyond the Overdelocalization-Underbinding Zero-Sum Game”, J. Phys. Chem. Lett. (2017), 8 (17), 4314-4318, doi: 10.1021/acs.jpclett.7b02023
Mehmood, B. G. Janesko, “An Orbital-Overlap Complement to Atomic Partial Charge”, Angew. Chem. Int. Ed. (2017), 56, 6878, doi: 10.1002/anie.201702715
Last Updated: November 19, 2024