| Flexible, ab initio potential, and dipole moment surfaces for water. I. Tests and applications for clusters up to the 22-mer Y Wang, X Huang, BC Shepler, BJ Braams, JM Bowman The Journal of chemical physics 134 (9), 2011 | 298 | 2011 |
| Accurate ab initio and “hybrid” potential energy surfaces, intramolecular vibrational energies, and classical ir spectrum of the water dimer A Shank, Y Wang, A Kaledin, BJ Braams, JM Bowman The Journal of chemical physics 130 (14), 2009 | 202 | 2009 |
| Full-dimensional quantum calculations of ground-state tunneling splitting of malonaldehyde using an accurate ab initio potential energy surface Y Wang, BJ Braams, JM Bowman, S Carter, DP Tew The Journal of chemical physics 128 (22), 2008 | 186 | 2008 |
| Ab initio potential and dipole moment surfaces for water. II. Local-monomer calculations of the infrared spectra of water clusters Y Wang, JM Bowman The Journal of chemical physics 134 (15), 2011 | 178 | 2011 |
| Full-dimensional, ab initio potential energy and dipole moment surfaces for water Y Wang, BC Shepler, BJ Braams, JM Bowman The Journal of chemical physics 131 (5), 2009 | 169 | 2009 |
| The water hexamer: cage, prism, or both. Full dimensional quantum simulations say both Y Wang, V Babin, JM Bowman, F Paesani Journal of the American Chemical Society 134 (27), 11116-11119, 2012 | 162 | 2012 |
| Communication: A chemically accurate global potential energy surface for the HO+ CO→ H+ CO2 reaction J Li, Y Wang, B Jiang, J Ma, R Dawes, D Xie, JM Bowman, H Guo The Journal of Chemical Physics 136 (4), 2012 | 120 | 2012 |
| Towards an ab initio flexible potential for water, and post-harmonic quantum vibrational analysis of water clusters Y Wang, JM Bowman Chemical Physics Letters 491 (1-3), 1-10, 2010 | 111 | 2010 |
| Ab-initio-based potential energy surfaces for complex molecules and molecular complexes JM Bowman, BJ Braams, S Carter, C Chen, G Czakó, B Fu, X Huang, ... The Journal of Physical Chemistry Letters 1 (12), 1866-1874, 2010 | 108 | 2010 |
| MULTIMODE quantum calculations of intramolecular vibrational energies of the water dimer and trimer using ab initio-based potential energy surfaces Y Wang, S Carter, BJ Braams, JM Bowman The Journal of chemical physics 128 (7), 2008 | 71 | 2008 |
| IR spectra of the water hexamer: Theory, with inclusion of the monomer bend overtone, and experiment are in agreement Y Wang, JM Bowman The Journal of Physical Chemistry Letters 4 (7), 1104-1108, 2013 | 68 | 2013 |
| Shared-Proton Mode Lights up the Infrared Spectrum of Fluxional Cations H5+ and D5+ TC Cheng, B Bandyopadyay, Y Wang, S Carter, BJ Braams, JM Bowman, ... The Journal of Physical Chemistry Letters 1 (4), 758-762, 2010 | 62 | 2010 |
| Energetics and predissociation dynamics of small water, HCl, and mixed HCl–water clusters AK Samanta, Y Wang, JS Mancini, JM Bowman, H Reisler Chemical Reviews 116 (9), 4913-4936, 2016 | 61 | 2016 |
| Coupled-monomers in molecular assemblies: Theory and application to the water tetramer, pentamer, and ring hexamer Y Wang, JM Bowman The Journal of Chemical Physics 136 (14), 2012 | 61 | 2012 |
| Experimental and theoretical investigations of energy transfer and hydrogen-bond breaking in small water and HCl clusters AK Samanta, G Czakó, Y Wang, JS Mancini, JM Bowman, H Reisler Accounts of Chemical Research 47 (8), 2700-2709, 2014 | 60 | 2014 |
| Quasi-Classical Trajectory Study of the HO + CO → H + CO2 Reaction on a New ab Initio Based Potential Energy Surface J Li, C Xie, J Ma, Y Wang, R Dawes, D Xie, JM Bowman, H Guo The Journal of Physical Chemistry A 116 (21), 5057-5067, 2012 | 57 | 2012 |
| Quantum calculations of the IR spectrum of liquid water using ab initio and model potential and dipole moment surfaces and comparison with experiment H Liu, Y Wang, JM Bowman The Journal of chemical physics 142 (19), 2015 | 56 | 2015 |
| Experimental and Theoretical Investigations of the Dissociation Energy (D0) and Dynamics of the Water Trimer, (H2O)3 LC Ch’ng, AK Samanta, Y Wang, JM Bowman, H Reisler The Journal of Physical Chemistry A 117 (32), 7207-7216, 2013 | 55 | 2013 |
| Mid- and Far-IR Spectra of H5+ and D5+ Compared to the Predictions of Anharmonic Theory TC Cheng, L Jiang, KR Asmis, Y Wang, JM Bowman, AM Ricks, ... The journal of physical chemistry letters 3 (21), 3160-3166, 2012 | 54 | 2012 |
| Mode-specific tunneling using the Qim path: Theory and an application to full-dimensional malonaldehyde Y Wang, JM Bowman The Journal of Chemical Physics 139 (15), 2013 | 53 | 2013 |
