Publications 2011

Title Authors Journal or Book Vol. Page Year
Roaming reactions: The third way J. M. Bowman and A. G. Suits Phys. Today 64 33 2011
Communication: Quasiclassical trajectory calculations of correlated product-state distributions for the dissociation of (H2O)2 and (D2O)2 G. Czakó, Y. Wang, and J. M. Bowman J. Chem. Phys. 135 151102 2011
Dynamics of the Reaction of Methane with Chlorine Atom on an Accurate Potential Energy Surface (request reprint) G. Czakó and J. M. Bowman Science 334 343 2011
Communication: Rigorous calculation of dissociation energies (D0) of the water trimer, (H2O)3 and (D2O)3 Y. Wang and J. M. Bowman J. Chem. Phys. 135 131101 2011
Quasiclassical Trajectory Calculations of the Dissociation Dynamics of CH3CHO at High Energy Yield Many Products Y. Han, B. C. Shepler, and J. M. Bowman J. Phys. Chem. Lett. 2 1715 2011
Multimode calculations of rovibrational energies and dipole transition intensities for polyatomic molecules with torsional motion: Application to H2O2 S. Carter, A. R. Sharma, and J. M. Bowman J. Chem. Phys. 135 014308 2011
Communication: Probing the Entrance Channels of the X + CH4 → HX + CH3 (X = F, Cl, Br, I) Reactions via Photodetachment of X–—CH4 M. Cheng, Y. Feng, Y. Du, Q. Zhu, W. Zheng, G. Czako, and J. M. Bowman J. Chem. Phys. 134 191102 2011
Do H5+ and Its Isotopologues Have Rotational Spectra? B. A. McGuire, Y. Wang, J. M. Bowman, and S. Widicus Weaver J. Phys. Chem. Lett. 2 1405 2011
The Dynamics of Allyl Radical Dissociation C. Chen, B. Braams, D. Y. Lee, J. M. Bowman, P. L. Houston, and D. Stranges J. Phys. Chem. A. 115 6797 2011
Three-State Trajectory Surface Hopping Studies of the Photodissociation Dynamics of Formaldehyde on ab Initio Potential Energy Surfaces B. Fu, B. C. Shepler, and J. M. Bowman J. Am. Chem. Soc. 133 7957 2011
Are Roaming and Conventional Saddle Points for H2CO and CH3CHO Dissociation to Molecular Products Isolated from Each Other? B. C. Shepler, Y. Han, and J. M. Bowman J. Phys. Chem. Lett. 2 834 2011
Quantum vibrational analysis and infrared spectra of microhydrated sodium ions using an ab initio potential E. Kamarchik, Y. Wang, and J. M. Bowman J. Chem. Phys. 134 114311 2011
Ab initio potential and dipole moment surfaces for water. II. Local-monomer calculations of the infrared spectra of water clusters, Y. Wang and J. M. Bowman J. Chem. Phys. 134 154510 2011
An ab initio spin-orbit-corrected potential energy surface and dynamics for the F + CH4 and F + CHD3 reactions G. Czakó and J. M. Bowman Phys. Chem. Chem. Phys. 13 8306 2011
High-dimensional ab initio potential energy surfaces for reaction dynamics calculations J. M. Bowman, G. Czakó, and B. Fu Phys. Chem. Chem. Phys. 13 8094 2011
Flexible, ab initio potential, and dipole moment surfaces for water. I. Tests and applications for clusters up to the 22-mer Y. Wang, X. Huang, B. C. Shepler, Benjamin, B. J. Braams, J. M. Bowman J. Chem. Phys. 134 094509 2011
Roaming Radicals J. M. Bowman and B. C. Shepler Annu. Rev. Phys. Chem 62 531 2011