| |
Title |
Authors |
Journal or Book |
Vol. |
Page |
Year |
| |
Capturing roaming molecular fragments in real time |
T. Endo, S. P. Neville, V. Wanie, S. Beaulieu, C. Qu, J. Deschamps, P. Lassonde, B. E. Schmidt, H. Fujise, M. Fushitani, A. Hishikawa, P. L. Houston, J. M. Bowman, M. S. Schuurman, F. Legare and H. Ibrahim |
Science
|
370 |
1072 |
2020 |
| |
Full-dimensional, ab initio potential energy surface for glycine with characterization of stationary points and zero-point energy calculations by means of diffusion Monte Carlo and semiclassical dynamic |
R. Conte, P. L. Houston, C. Qu, J. Li and J. M. Bowman |
J. Chem. Phys |
153 |
244301 |
2020 |
| |
Full-dimensional potential energy surface for acetylacetone and tunneling splittings
|
C. Qu, R. Conte, P.L. Houston and J.M. Bowman |
Phys. Chem. Chem. Phys |
Ahead of Print |
|
2020 |
| |
Decoding the 2D IR spectrum of the aqueous proton with high-level VSCF/VCI calculations |
W.B. Carpenter, Q. Yu, J.H. Hack, B. Dereka, J.M. Bowman and A. Tokmakoff |
J. Chem. Phys. |
153 |
124506 |
2020 |
| |
Full-dimensional quantum dynamics of SO(X3Σ-) in collision with H2 |
B. Yang, P. Zhang, C. Qu, P.C. Stancil, J.M. Bowman, N. Balakrishnan, R.C. Forrey |
Chem. Phys.
|
532 |
110695 |
2020 |
| |
Energy transfer between vibrationally excited carbon monoxide based on a highly accurate six-dimensional potential energy surface
|
J. Chen, J. Li, J. M. Bowman and H. Guo |
J. Chem. Phys. |
153 |
054310 |
2020 |
| |
Permutationally invariant polynomial potential energy surfaces for tropolone and H and D atom tunneling dynamics |
P. Houston, R. Conte, C. Qu and J. M. Bowman |
J. Chem. Phys. |
153 |
024107 |
2020 |
| |
Rotational resonances in the H2CO roaming reaction are revealed by detailed correlations |
M. S. Quinn, K. Nauta, S. H. Kable, M. J. T. Jordan, J. M. Bowman and P. L. Houston |
Science |
369 |
1592 |
2020 |
| |
A Machine Learning Approach for Rate Constants II: Clustering, Training, and Predictions for the O(3P)+HCl -> OH+Cl Reaction |
A. Nandi, J. M. Bowman and P. L. Houston |
J. Phys. Chem. A |
124 |
5746 |
2020 |
| |
Observation of the low frequency spectrum of water trimer as a sensitive test of the water trimer potential and the dipole moment surface |
M. Havenith-Newen, R. Schwan, C. Qu, D. Mani, N. Pal, G. Schwaab, J. M. Bowman and G. Tschumper
|
Angew Chem Int Ed Engl |
59 |
11399 |
2020 |
| |
Efficient Generation of Permutationally Invariant Potential Energy Surfaces for Large Molecules
|
R. Conte, C. Qu, P. L. Houston and J. M. Bowman |
J. Chem. Theory Comput. |
16 |
3264 |
2020 |
| |
Tracking Hydronium/Water Stretches in Magic H3O+(H2O)20 Clusters Through High-Level Quantum VSCF/VCI Calculations |
Q. Yu and J. M. Bowman |
J. Phys. Chem. A
|
124 |
1167 |
2020 |
| |
Collision-induced and complex-mediated roaming dynamics in the H + C2H4 → H2 + C2H3 reaction, |
Y.-L. Fu, X. Lu, Y.-C. Han, B. Fu, D. H. Zhang and J. M. Bowman |
Chem. Sci. |
11 |
2148 |
2020 |
| |
Permutationally Invariant Polynomial Potential Energy Surfaces for Tropolone and H atom Tunneling Dynamics |
Paul Houston, Riccardo Conte, Chen Qu, and Joel M. Bowman |
J. Chem. Phys. |
153 |
024107 |
2020 |
