|
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 |
|
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 |