Broken-Hearted” Carbon Bowl via Electron Shuttle Reaction: Energetics and Electron Coupling, Gabrielle A. Leith, Allison M. Rice, Brandon J. Yarbrough, Preecha Kittikhunnatham, Abijai Mathur, Nicholas A. Morris, Megan J. Francis, Anna A. Berseneva, Poonam Dhull, Richard D. Adams, M. Victoria Bobo, Aaron A. Vannucci, Mark D. Smith, Sophya Garashchuk, Natalia B. Shustova
Faculty Publications

Heterometallic Multinuclear Nodes Directing MOF Electronic Behavior, Otega A. Ejegbavwo, Anna A. Berseneva, Corey R. Martin, Gabrielle A. Leith, Shubham Pandey, Amy J. Brandt, Kyoung Chul Park, Abhijai Mathur, Sharfa Farzandh, Vladislav V. Klepov, Brittany J. Heiser, Mvs Chandrashekhar, Stavros G. Karakalos, Mark D. Smith, Simon R. Phillpot, Sophya Garashchuk, Donna A. Chen, Natalia B. Shustova Prof. Dr.
Faculty Publications

Quantum Trajectory Dynamics in Imaginary Time with the Momentum-Dependent Quantum Potential, Sophya Garashchuk
Faculty Publications

Wavepacket Approach to the Cumulative Reaction Probability within the Flux Operator Formalism, Sophya Garashchuk, Tijo Vazhappilly
Faculty Publications

Stable Long-Time Semiclassical Description of Zero-Point Energy in High-Dimensional Molecular Systems, Sophya Garashchuk, Vitaly A. Rassolov
Faculty Publications

Computation of Correlation Functions and Wave Function Projections in the Context of Quantum Trajectory Dynamics, Sophya Garashchuk
Faculty Publications

Semiclassical Nonadiabatic Dynamics Based on Quantum Trajectories for the O(³P,¹D)+H₂ System, Sophya Garashchuk, Vitaly A. Rassolov, George C. Schatz
Faculty Publications

Semiclassical Nonadiabatic Dynamics Using a Mixed Wave-Function Representation, Sophya Garashchuk, Vitaly A. Rassolov, George C. Schatz
Faculty Publications

Modified Quantum Trajectory Dynamics Using a Mixed Wave Function Representation, Sophya Garashchuk, Vitaly A. Rassolov
Faculty Publications

Geminal Model Chemistry II. Perturbative Corrections, Vitaly A. Rassolov, Feng Xu, Sophya Garashchuk
Faculty Publications

Bohmian Dynamics on Subspaces Using Linearized Quantum Force, Vitaly A. Rassolov, Sophya Garashchuk
Faculty Publications

Energy Conserving Approximations to the Quantum Potential: Dynamics with Linearized Quantum Force, Sophya Garashchuk, Vitaly A. Rassolov
Faculty Publications

Semiclassical Dynamics with Quantum Trajectories: Formulation and Comparison with the Semiclassical Initial Value Representation Propagator, Sophya Garashchuk, Vitaly A. Rassolov
Faculty Publications

Semiclassical Application of the Mo”ller Operators in Reactive Scattering, Sophya Garashchuk, John C. Light
Faculty Publications

Simplified Calculation of the Stability Matrix for Semiclassical Propagation, Sophya Garashchuk, John C. Light
Faculty Publications

Semiclassical Calculation of Chemical Reaction Dynamics via Wavepacket Correlation Functions, David J. Tannor, Sophya Garashchuk
Faculty Publications

Cumulative Reaction Probability in Terms of Reactant-Product Wave Packet Correlation Functions, Sophya Garashchuk, David J. Tannor
Faculty Publications

Correlation Function Formulation for the State Selected Total Reaction Probability, Sophya Garashchuk, David J. Tannor
Faculty Publications