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Publications

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2016
D. A. Fedorov, Pruitt, S. R., Keipert, K., Gordon, M. S., and Varganov, S. A., Ab Initio Multiple Spawning Method for Intersystem Crossing Dynamics: Spin-Forbidden Transitions between 3B(1) and (1)A(1) States of GeH2, Journal of Physical Chemistry A, vol. 120, pp. 2911-2919, 2016.
H. J. Song and Hoyt, J. J., Barrier-Free Nucleation at Grain-Boundary Triple Junctions During Solid-State Phase Transformations, Physical Review Letters, vol. 117, p. 238001, 2016.
A. Garcia and Evans, J. W., Catalytic conversion in nanoporous materials: Concentration oscillations and spatial correlations due to inhibited transport and intermolecular interactions, Journal of Chemical Physics, vol. 145, p. 174705, 2016.
A. Garcia, Wang, J., Windus, T. L., Sadow, A. D., and Evans, J. W., Catalytic conversion reactions in nanoporous systems with concentration-dependent selectivity: Statistical mechanical modeling, Physical Review E, vol. 93, p. 052137, 2016.
H. Bataineh, Pestovsky, O., and Bakac, A., Electron Transfer Reactivity of the Aqueous Iron(IV)-Oxo Complex. Outer-Sphere vs Proton-Coupled Electron Transfer, Inorganic Chemistry, vol. 55, pp. 6719-6724, 2016.
D. J. Liu, Zahariev, F., Gordon, M. S., and Evans, J. W., Predictive Beyond-Mean-Field Rate Equations for Multisite Lattice-Gas Models of Catalytic Surface Reactions: CO Oxidation on Pd(100), Journal of Physical Chemistry C, vol. 120, pp. 28639-28653, 2016.
I. Z. Hlova, Castle, A., Goldston, J. F., Gupta, S., Prost, T., Kobayashi, T., Chumbley, L. S., Pruski, M., and Pecharsky, V. K., Solvent- and catalyst-free mechanochemical synthesis of alkali metal monohydrides, Journal of Materials Chemistry A, vol. 4, pp. 12188-12196, 2016.
B. Yuan, Brandt, J. A., Shaw, S., Mohapatra, P., and Cademartiri, L., Towards bulk syntheses of nanomaterials: a homeostatically supersaturated synthesis of polymer-like Bi2S3 nanowires with nearly 100% yield and no injection, RCS Advances, vol. 6, pp. 113815-113819, 2016.