화학공학소재연구정보센터
검색결과 : 165건
No. Article
1 Crossover from hydrogen to chemical bonding
Dereka B, Yu Q, Lewis NHC, Carpenter WB, Bowman JM, Tokmakoff A
Science, 371(6525), 160, 2021
2 Tracking Hydronium/Water Stretches in Magic H3O+(H2O)(20) Clusters through High-level Quantum VSCF/VCI Calculations
Yu Q, Bowman JM
Journal of Physical Chemistry A, 124(6), 1167, 2020
3 A Machine Learning Approach for Rate Constants. II. Clustering, Training, and Predictions for the O(P-3) + HCl -> OH plus Cl Reaction
Nandi A, Bowman JM, Houston P
Journal of Physical Chemistry A, 124(28), 5746, 2020
4 Capturing roaming molecular fragments in real time
Endo T, Neville SP, Wanie V, Beaulieu S, Qu C, Deschamps J, Lassonde P, Schmidt BE, Fujise H, Fushitani M, Hishikawa A, Houston PL, Bowman JM, Schuurman MS, Legare F, Ibrahim H
Science, 370(6520), 1072, 2020
5 Rotational resonances in the H2CO roaming reaction are revealed by detailed correlations
Quinn MS, Nauta K, Jordan MJT, Bowman JM, Houston PL, Kable SH
Science, 369(6511), 1592, 2020
6 Classical, Thermostated Ring Polymer, and Quantum VSCF/VCI Calculations of IR Spectra of H7O3+ and H9O4+ (Eigen) and Comparison with Experiment Published as part of The Journal of Physical Chemistry virtual special issue "Hanna Reisler Festschrift"
Yu Q, Bowman JM
Journal of Physical Chemistry A, 123(7), 1399, 2019
7 Assessing the Importance of the H-2-H2O-H2O Three-Body Interaction on the Vibrational Frequency Shift of H-2 in the sII Clathrate Hydrate and Comparison with Experiment
Qu C, Bowman JM
Journal of Physical Chemistry A, 123(1), 329, 2019
8 Disentangling the Complex Vibrational Mechanics of the Protonated Water Trimer by Rational Control of Its Hydrogen Bonds
Duong CH, Yang N, Johnson MA, DiRisio RJ, McCoy AB, Yu Q, Bowman JM
Journal of Physical Chemistry A, 123(37), 7965, 2019
9 H atom Product Channels in the Ultraviolet Photodissociation of the 2-Propenyl Radical
Sun G, Lucas M, Song Y, Zhang JS, Brazier C, Houston PL, Bowman JM
Journal of Physical Chemistry A, 123(46), 9957, 2019
10 High-Level VSCF/VCI Calculations Decode the Vibrational Spectrum of the Aqueous Proton
Yu Q, Carpenter WB, Lewis NHC, Tokrnakoff A, Bowman JM
Journal of Physical Chemistry B, 123(33), 7214, 2019