Publications 2017

Title Authors Journal or Book Vol. Page Year
Theories and simulations of roaming,, Chemical Society Reviews. 10.1039/C7CS00578D. J. M. Bowman and P. L. Houston Chem. Soc. Rev. 46  7615 2017
High-Level Quantum Calculations of the IR Spectra of the Eigen, Zundel, and Ring Isomers of H+(H2O)4 Find a Single Match to Experiment Q. Yu and J. M. Bowman J. Am. Chem. Soc. 139 10984 2017
Two-component, ab initio potential energy surface for CO2-H2O, extension to the hydrate clathrate, CO2@(H2O)20, and VSCF/VCI vibrational analyses of both Q. Wang and J. M. Bowman J. Chem. Phys  147 161714 2017
  Disentangling the Complex Vibrational Spectrum of the Protonated Water Trimer, H+(H2O)3, with Two-Color IR-IR Photodissociation of the Bare Ion and Anharmonic VSCF/VCI Theory C. H. Duong, O. Gorlova, N. Yang, P. J. Kelleher, Q. Yu, A. B. McCoy, J. M. Bowman, and M. A. Johnson J. Phys. Chem. Lett.  8 3782 2017
Photodissociation of CH3CHO at 248 nm: Identification of the Channels of Roaming, Triple Fragmentation and Transition State, Y.-C. Han, P.-Y. Tsai, J. M. Bowman, and K.-C. L. Lin Phys. Chem. Chem. Phys. 19  18628 2017
  Formaldehyde roaming dynamics: Comparison of quasi-classical trajectory calculations and experiments P. L. Houston, X. Wang, A. Ghosh, J. M. Bowman, M. S. Quinn, and S. H. Kable J. Chem. Phys. 147  013936 2017
Communication: VSCF/VCI vibrational spectroscopy of H7O3+ and H9O4+ using high-level, many-body potential energy surface and dipole moment surfaces Q. Yu and J. M. Bowman J. Chem. Phys. 146 121102 2017
  A new (multi-reference configuration interaction) potential energy surface for H2CO and preliminary studies of roaming X. Wang and J. M. Bowman and P. L. Houston Philos. Trans. A Math Phys. Eng. Sci. 375  2092 2017
Calculating Feshbach resonances in HCO using an extension of Qim-path theory X. Wang and J. M. Bowman Int. J. Quantum Chem. 117 139 2017
  The Rovibrational Spectra of trans- and cis-HOCO, Calculated by MULTIMODE with ab Initio Potential Energy and Dipole Moment Surfaces S. Carter, Y. Wang, and J. M. Bowman J. Phys. Chem. A 121 1616 2017
pdf-icon Equilibrium clumped-isotope effects in doubly substituted isotopologues of ethane M. A. Webb, Y. Wang, B. J. Braams, J. M. Bowman, and T. F. Miller III Geochim. Cosmochim. Acta 197 14 2017