| 1 |
Sampling the Proton Transfer Reaction Coordinate in Mixed Quantum-Classical Molecular Dynamics Simulations
Ka BJ, Thompson WH
Journal of Physical Chemistry A, 116(2), 832, 2012 |
| 2 |
Nonadiabatic Effects on Proton Transfer Rate Constants in a Nanoconfined Solvent
Ka BJ, Thompson WH
Journal of Physical Chemistry B, 114(22), 7535, 2010 |
| 3 |
Stereospecific Decarboxylative Allylation of Sulfones
Weaver JD, Ka BJ, Morris DK, Thompson W, Tunge JA
Journal of the American Chemical Society, 132(35), 12179, 2010 |
| 4 |
Vibrational energy relaxation of polyatomic molecules in liquid solution via the linearized semiclassical method
Ka BJ, Geva E
Journal of Physical Chemistry A, 110(31), 9555, 2006 |
| 5 |
Classical vs quantum vibrational energy relaxation pathways in solvated polyatomic molecules
Ka BJ, Geva E
Journal of Physical Chemistry A, 110(49), 13131, 2006 |
| 6 |
Vibrational energy relaxation rates via the linearized semiclassical approximation: Applications to neat diatomic liquids and atomic-diatomic liquid mixtures
Ka BJ, Shi Q, Geva E
Journal of Physical Chemistry A, 109(25), 5527, 2005 |
| 7 |
An efficient and accurate implementation of centroid molecular dynamics using a Gaussian approximation
Ka BJ, Voth GA
Journal of Physical Chemistry A, 109(50), 11609, 2005 |
| 8 |
Combining the semiclassical initial value representation with centroid dynamics
Ka BJ, Voth GA
Journal of Physical Chemistry B, 108(21), 6883, 2004 |
