14 results on '"A. Voth, Gregory"'
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2. Ab initio centroid molecular dynamics: a fully quantum method for condensed-phase dynamics simulations
3. Large-scale computer simulation of an electrochemical bond-breaking reaction
4. Path integral molecular dynamics simulation of solid para-hydrogen with an aluminum impurity
5. The isotope substitution effect on the hydrated proton
6. A theory for adiabatic bond breaking electron transfer reactions at metal electrodes
7. Hyper-parallel algorithms for centroid molecular dynamics: application to liquid para-hydrogen
8. A theory for the quantum activated rate constant in dissipative systems
9. Pseudopotentials for centroid molecular dynamics: Application to self-diffusion in liquid para-hydrogen
10. A theory for the thermally activated rate constant in systems with spatially dependent friction
11. Calculation of quantum activation free energies for proton transfer reactions in polar solvents
12. Analytic expression for the transmission coefficient in quantum mechanical transition state theory
13. Quantum and classical energy transfer between ligands of a heavy metal atom
14. Approximate coupled equations for multiphoton processes induced by one or more lasers
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