Publications 2013

Title Authors Journal or Book Vol. Page Year
Classical Trajectory Study of Energy Transfer in Collisions of Highly Excited Allyl Radical with Argon R. Conte, P. Houston, and J. M. Bowman J. Phys. Chem. A 117 14028 2013
A novel Gaussian Binning (1GB) analysis of vibrational state distributions in highly excited H2O from reactive quenching of OH* by H2 R. Conte, B. Fu, E. Kamarchik, and J. M. Bowman J. Chem. Phys 139 044104 2013
MULTIMODE calculations of the infrared spectra of H7+ and D7+ using ab initio potential energy and dipole moment surfaces C. Qu, R. Prosmiti, J. M. Bowman Theor. Chem. Acc. 132 1 2013
Full-dimensional quantum calculations of the dissociation energy, zero-point, and 10 k properties of H7+ /D7+ clusters using an ab initio potential energy surface P. Barragán, R. Pérez de Tudela, C. Qu, R. Prosmiti, and J. M. Bowman J. Chem. Phys 139 024308 2013
Full- dimensional, ab initio potential energy surface surface for CH3OH→CH3 +OH C. Qu and J. M. Bowman Mol. Phys. 111 1964 2013
Effects of High Angular Momentum on the Unimolecular Dissociation of CD2CD2OH: Theory and Comparisons with Experiment B. G. McKown, M. Ceriotti, C. C. Womack, E. Kamarchik, L. J. Butler, and J. M. Bowman J. Phys. Chem. A 117 10951 2013
Coupling of Low- and High-Frequency Vibrational Modes: Broadening in the Infrared Spectrum of F–(H2O)2 E. Kamarchik and J. M. Bowman J. Phys. Chem. Lett 4 2964 2013
On-The-Fly Ab Initio Calculations of Anharmonic Vibrational Frequencies: Local-Monomer Theory And Application to HCl Clusters J. S. Mancini and J. M. Bowman J. Chem. Phys 139 164115 2013
Mode-Specific Tunneling Using the Qim Path: Theory and an Application to Full-Dimensional Malonaldehyde Y. Wang and J. M. Bowman J. Chem. Phys 139 154303 2013
Calculations And Measurements of the Deuterium Tunneling Frequency in the Propiolic Acid-Formic Acid Dimer And Description of a Newly Constructed Fourier Transform Microwave Spectrometer M. Sun, Y. Wang, S. J. Carey, E. G. Mitchell, J. M. Bowman, and S. G. Kukolich J. Chem. Phys. 139 084316 2013
Joel M. Bowman Festschrift This special issue was organized by Guest Editors Zlatko Bacic and Tucker Carrington. J. Phys. Chem. A 117 6905 2013
Experimental and Theoretical Investigations of the Dissociation Energy (D0) and Dynamics of the Water Trimer, (H2O)3 L. C. Ch’ng, A. K. Samanta, Y. Wang, J. M. Bowman, and H. Reisler J. Phys. Chem. A 117 7207 2013
Quantum Calculation of Inelastic CO Collisions with H. I. Rotational Quenching Of Low-Lying Rotational Levels B. H. Yang, P. C. Stancil, N. Balakrishnan, R. C. Forrey, and J. M. Bowman ApJ 771 49 2013
Quasiclassical 1675 Trajectory Studies of 18O(3P) + NO2 Isotope Exchange and Reaction to O2 + NO on D0 and D1 Potentials B. Fu, D. H. Zhang, and J. M. Bowman J. Chem. Phys. 139 024303 2013
IR Spectra of the Water Hexamer: Theory, with Inclusion of the Monomer Bend Overtone, and Experiment Are in Agreement Y. Wang and J. M. Bowman J. Phys. Chem. Lett. 4 1104 2013
Experimental and Theoretical Studies of Roaming Dynamics in the Unimolecular Dissociation of CH3NO2 to CH3O + NO Z. Homayoon, J. M. Bowman, A. Dey, C. Abeysekera, R. Lakshitha, and A. G. Suits Zeit. Phys. Chem. 227 1267 2013
Communication: A new ab initio potential energy surface for HCl—H2O, diffusion Monte Carlo calculations of D0 and a delocalized zero-point wavefunction J. S. Mancini and J. M. Bowman J. Chem. Phys. 138 121102 2013
Zero-point Energy is Needed in Molecular Dynamics Calculations to Access the Saddle Point for H+HCN → H2CN* and cis/trans-HCNH* on a New Potential Energy Surface X. Wang and J. M. Bowman J. Chem. Theory Comput. 9 901 2013
Quasiclassical Trajectory Study of CH3NO2 Decomposition via Roaming Mediated Isomerization Using a Global Potential Energy Surface Z. Homayoon and J. M. Bowman J. Phys. Chem. A 117 46 2013
Quasiclassical Trajectory Studies of the Photodissociation Dynamics of NO3 from the D0 and D1 Potential Energy Surfaces B. Fu, J. M. Bowman, H. Xiao, S. Maeda, and K. Morokuma J. Chem. Theory Comput. 9 893 2013
Reactant zero-point energy is needed to access the saddle point in molecular dynamics calculations of the association reaction H + C2D2 → C2D2H* Y-C. Han and J. M. Bowman Chem. Phys. Lett. 556 39 2013
Dipole Surface and Infrared Intensities for the cis- and trans-HOCO and DOCO Radicals X. Huang, R. C. Fortenberry, Y. Wang, J. S. Francisco, T. D. Crawford, J. M. Bowman, and T. J. Lee J. Phys. Chem. A 117 6932 2013
Variational calculations of vibrational energies and IR spectra of trans and cis-HOCO using new ab initio potential energy and dipole moment surfaces Y. Wang, S. Carter, and J. M. Bowman J. Phys. Chem. A 117 9343 2013