| Title |
Authors |
Journal or Book |
Vol. |
Page |
Year |
| Enhancement of tunneling due to resonances in pre-barrier wells in chemical reactions |
J. M. Bowman |
Chem. Phys. |
308 |
255 |
2005 |
| Ab initio potential energy and dipole moment surfaces for H5O2+ |
X. Huang, B .J. Braams, and J. M. Bowman |
J. Chem. Phys. |
122 |
044308 |
2005 |
| Quantum and quasi-classical studies of the O(3P) + HCl --> OH + CL(2P) reaction using benchmark potential surfaces |
T. Xie, J. M. Bowman, J. W. Duff, et al. |
J. Chem. Phys. |
122 |
014301 |
2005 |
| Full-dimensional vibrational calculations for H5O2+ using an ab initio potential energy surface |
A. B. McCoy, X. Huang, S. Carter, Marc Landeweer, and J. M. Bowman |
J. Chem. Phys. |
122 |
061101 |
2005 |
| Construction of a global potential energy surface from novel ab initio molecular dynamics for the O(3P) + C3H3 reaction |
S. C. Park, B. J. Braams, and J. M. Bowman |
J. Theor. Comput. Chem. |
4 |
163 |
2005 |
| Quasiclassical trajectory studies of the dynamics of H2CO on a global ab initio-based potential energy surface |
J. L. Rheinecker, X. L. Zhang, and J. M. Bowman |
Mol. Phys. |
103 |
1067 |
2005 |
| Argon predissociation spectroscopy of the OH-•H2) and Cl-•H2O complexes in the 1000 - 1900 cm-1 region: Intramolecular bending transitions and the search for the shared proton fundamental in the hydroxide monohydrate |
E. Diken, J. M. Geadrick, J. R. Roscioli, J. C. Bopp, M. A. Johnson, A. B. McCoy, X. Huang, S. Carter, and J. M. Bowman |
J. Phys.Chem. A |
109 |
571 |
2005 |
| Progress in the quantum description of vibrational motion of polyatomic molecules |
J. M. Bowman, S. Carter, and N. C. Handy |
in Theory and Applications of Computational Chemistry: The First 40 Years, edited by C. Dykstra, G. Frenking, K. S. Kim, and G. E. Scuseria |
ch. 11 |
265 |
2005 |
| Quasiclassical trajectory study of formaldehyde: H2CO --> H2+CO, H+HCO |
X. Zhang, J. L. Rheinecker, and J. M. Bowman |
J. Chem. Phys. |
122 |
114313 |
2005 |
| Ab initio global potential energy surface for H5+-->H3++H2 |
Z. Xie, B. Braams, and J. M. Bowman |
J. Chem. Phys. |
122 |
224307 |
2005 |
| Quantum inelastic scattering study of isotope effects in ozone stabilization dynamics |
J. M. Bowman & T. Zie |
Chem. Phys. Lett. |
412 |
131 |
2005 |
| The vibrational predissociation spectra of the H5O2+•RGn(RG=Ar,Ne) clusters: Correlation of the solvent perturbations in the free OH and shared proton transitions of the Zundel ion |
N.I. Hammer, E.G. Diken, J.R. Roscioli, M.A. Johnson, E.I. Myshakin, K.D. Jordan, A.B. McCoy, X. Huang, J.M. Bowman & S. Carter |
J. Chem. Phys. |
122 |
244301 |
2005 |
| Quantum studies of the vibrations in H3O2- and D3O2-
|
A. B. McCoy, X. Huang, S. Carter, and J. M. Bowman |
J. Chem. Phys. |
123 |
064317 |
2005 |