Articles with public access mandates - Joel BowmanLearn more
Not available anywhere: 36
Permutationally invariant potential energy surfaces
C Qu, Q Yu, JM Bowman
Annual review of physical chemistry 69 (1), 151-175, 2018
Mandates: US National Science Foundation, US Department of Energy, US Department of …
Reaction dynamics of methane with F, O, Cl, and Br on ab initio potential energy surfaces
G Czako, JM Bowman
The Journal of Physical Chemistry A 118 (16), 2839-2864, 2014
Mandates: Hungarian Scientific Research Fund
Assessing Gaussian process regression and permutationally invariant polynomial approaches to represent high-dimensional potential energy surfaces
C Qu, Q Yu, BL Van Hoozen Jr, JM Bowman, RA Vargas-Hernández
Journal of Chemical Theory and Computation 14 (7), 3381-3396, 2018
Mandates: US National Science Foundation, Natural Sciences and Engineering Research …
Capturing roaming molecular fragments in real time
T Endo, SP Neville, V Wanie, S Beaulieu, C Qu, J Deschamps, ...
Science 370 (6520), 1072-1077, 2020
Mandates: US National Aeronautics and Space Administration, Natural Sciences and …
An ab initio potential energy surface for the formic acid dimer: zero-point energy, selected anharmonic fundamental energies, and ground-state tunneling splitting calculated in …
C Qu, JM Bowman
Physical Chemistry Chemical Physics 18 (36), 24835-24840, 2016
Mandates: US National Science Foundation
Theories and simulations of roaming
JM Bowman, PL Houston
Chemical Society Reviews 46 (24), 7615-7624, 2017
Mandates: US Department of Defense
Disentangling the Complex Vibrational Spectrum of the Protonated Water Trimer, H+(H2O)3, with Two-Color IR-IR Photodissociation of the Bare Ion and …
CH Duong, O Gorlova, N Yang, PJ Kelleher, MA Johnson, AB McCoy, ...
The journal of physical chemistry letters 8 (16), 3782-3789, 2017
Mandates: US National Science Foundation, US Department of Energy
Crossed Molecular Beams and Quasiclassical Trajectory Surface Hopping Studies of the Multichannel Nonadiabatic O(3P) + Ethylene Reaction at High Collision …
N Balucani, F Leonori, P Casavecchia, B Fu, JM Bowman
The Journal of Physical Chemistry A 119 (50), 12498-12511, 2015
Mandates: US Department of Energy, Chinese Academy of Sciences, National Natural …
Classical, Thermostated Ring Polymer, and Quantum VSCF/VCI Calculations of IR Spectra of H7O3+ and H9O4+ (Eigen) and Comparison with Experiment
Q Yu, JM Bowman
The Journal of Physical Chemistry A 123 (7), 1399-1409, 2019
Mandates: US National Science Foundation
Quantum approaches to vibrational dynamics and spectroscopy: is ease of interpretation sacrificed as rigor increases?
C Qu, JM Bowman
Physical Chemistry Chemical Physics 21 (7), 3397-3413, 2019
Mandates: US National Aeronautics and Space Administration
Transferable ab initio dipole moment for water: three applications to bulk water
H Liu, Y Wang, JM Bowman
The Journal of Physical Chemistry B 120 (8), 1735-1742, 2016
Mandates: US National Science Foundation
Ab Initio Potential for H3O+ → H+ + H2O: A Step to a Many-Body Representation of the Hydrated Proton?
Q Yu, JM Bowman
Journal of Chemical Theory and Computation 12 (11), 5284-5292, 2016
Mandates: US National Science Foundation
Pruning the Hamiltonian Matrix in MULTIMODE: Test for C2H4 and Application to CH3NO2 Using a New Ab Initio Potential Energy Surface
X Wang, S Carter, JM Bowman
The Journal of Physical Chemistry A 119 (47), 11632-11640, 2015
Mandates: US Department of Energy, US National Aeronautics and Space Administration
Tracking Hydronium/Water Stretches in Magic H3O+(H2O)20 Clusters through High-level Quantum VSCF/VCI Calculations
Q Yu, JM Bowman
The Journal of Physical Chemistry A 124 (6), 1167-1175, 2020
Mandates: US National Science Foundation
Quantum Local Monomer IR Spectrum of Liquid D2O at 300 K from 0 to 4000 cm–1 Is in Near-Quantitative Agreement with Experiment
H Liu, Y Wang, JM Bowman
The Journal of Physical Chemistry B 120 (10), 2824-2828, 2016
Mandates: US National Science Foundation
A Machine Learning Approach for Rate Constants. II. Clustering, Training, and Predictions for the O(3P) + HCl → OH + Cl Reaction
A Nandi, JM Bowman, P Houston
The Journal of Physical Chemistry A 124 (28), 5746-5755, 2020
Mandates: US National Aeronautics and Space Administration
Rotational resonances in the H2CO roaming reaction are revealed by detailed correlations
MS Quinn, K Nauta, MJT Jordan, JM Bowman, PL Houston, SH Kable
Science 369 (6511), 1592-1596, 2020
Mandates: US Department of Defense, Australian Research Council
Photodissociation of CH 3 CHO at 248 nm: identification of the channels of roaming, triple fragmentation and the transition state
YC Han, PY Tsai, JM Bowman, KC Lin
Physical Chemistry Chemical Physics 19 (28), 18628-18634, 2017
Mandates: National Natural Science Foundation of China
How the Zundel (H5O2+) Potential Can Be Used to Predict the Proton Stretch and Bend Frequencies of Larger Protonated Water Clusters
Q Yu, JM Bowman
The journal of physical chemistry letters 7 (24), 5259-5265, 2016
Mandates: US National Science Foundation
IR Spectra of (HCOOH)2 and (DCOOH)2: Experiment, VSCF/VCI, and Ab Initio Molecular Dynamics Calculations Using Full-Dimensional Potential and Dipole …
C Qu, JM Bowman
The Journal of Physical Chemistry Letters 9 (10), 2604-2610, 2018
Mandates: US National Science Foundation
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