Ananth Group
Theoretical Chemistry

Publications

J. R. Duke and N. Ananth, "Simulating Excited State Dynamics in Systems with Multiple Avoided Crossings Using Mapping Variable Ring Polymer Molecular Dynamics", J. Phys. Chem. Lett., 6, 4219-4223 (2015).    JPCL

T. Zeng, D. Danovich, S. Shaik, N. Ananth, and R. Hoffmann, "Tuning the Ground State Symmetry of Acetylenyl Radicals", ACS Cent. Sci., 1, 270-278 (2015).    ACSCS

T. Zeng, K. M. Lancaster, N. Ananth, and R. Hoffmann, "Anomalous orbital admixture in ammine complexes", J. Organomet. Chem., 792, 6-12 (2015).    SD

S. V. Antipov, Z. Ye, and N. Ananth, "Dynamically consistent method for mixed quantum-classical simulations: A semiclassical approach", J. Chem. Phys., 142, 184102 (2015).    JCP