| Neural network‐based approaches for building high dimensional and quantum dynamics‐friendly potential energy surfaces S Manzhos, R Dawes, T Carrington International Journal of Quantum Chemistry 115 (16), 1012-1020, 2015 | 216 | 2015 |
| A nested molecule-independent neural network approach for high-quality potential fits S Manzhos, X Wang, R Dawes, T Carrington The Journal of Physical Chemistry A 110 (16), 5295-5304, 2006 | 214 | 2006 |
| Interpolating moving least-squares methods for fitting potential energy surfaces: A strategy for efficient automatic data point placement in high dimensions R Dawes, DL Thompson, AF Wagner, M Minkoff The Journal of chemical physics 128 (8), 2008 | 139 | 2008 |
| Communication: An accurate global potential energy surface for the ground electronic state of ozone R Dawes, P Lolur, A Li, B Jiang, H Guo The Journal of Chemical Physics 139 (20), 2013 | 130 | 2013 |
| Interpolating moving least-squares methods for fitting potential energy surfaces: computing high-density potential energy surface data from low-density ab initio data points R Dawes, DL Thompson, Y Guo, AF Wagner, M Minkoff The Journal of chemical physics 126 (18), 2007 | 121 | 2007 |
| 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 |
| Roaming radicals in the thermal decomposition of dimethyl ether: Experiment and theory R Sivaramakrishnan, JV Michael, AF Wagner, R Dawes, AW Jasper, ... Combustion and Flame 158 (4), 618-632, 2011 | 120 | 2011 |
| Nitrous oxide dimer: A new potential energy surface and rovibrational spectrum of the nonpolar isomer R Dawes, XG Wang, AW Jasper, T Carrington The Journal of chemical physics 133 (13), 2010 | 112 | 2010 |
| Communication: Highly accurate ozone formation potential and implications for kinetics R Dawes, P Lolur, J Ma, H Guo The Journal of chemical physics 135 (8), 2011 | 106 | 2011 |
| From ab Initio Potential Energy Surfaces to State-Resolved Reactivities: X + H2O ↔ HX + OH [X = F, Cl, and O(3P)] Reactions J Li, B Jiang, H Song, J Ma, B Zhao, R Dawes, H Guo The Journal of Physical Chemistry A 119 (20), 4667-4687, 2015 | 105 | 2015 |
| High-Level, First-Principles, Full-Dimensional Quantum Calculation of the Ro-vibrational Spectrum of the Simplest Criegee Intermediate (CH2OO) J Li, S Carter, JM Bowman, R Dawes, D Xie, H Guo The Journal of Physical Chemistry Letters 5 (13), 2364-2369, 2014 | 93 | 2014 |
| How to choose one-dimensional basis functions so that a very efficient multidimensional basis may be extracted from a direct product of the one-dimensional functions: Energy … R Dawes, T Carrington The Journal of chemical physics 122 (13), 2005 | 93 | 2005 |
| UV Absorption Spectrum and Photodissociation Channels of the Simplest Criegee Intermediate (CH2OO) R Dawes, B Jiang, H Guo Journal of the American Chemical Society 137 (1), 50-53, 2015 | 90 | 2015 |
| Kinetic isotope effect of the 16O+ 36O2 and 18O+ 32O2 isotope exchange reactions: Dominant role of reactive resonances revealed by an accurate time-dependent quantum wavepacket … Z Sun, D Yu, W Xie, J Hou, R Dawes, H Guo The Journal of Chemical Physics 142 (17), 2015 | 86 | 2015 |
| CO dimer: New potential energy surface and rovibrational calculations R Dawes, XG Wang, T Carrington Jr The Journal of Physical Chemistry A 117 (32), 7612-7630, 2013 | 80 | 2013 |
| An ab initio based full-dimensional global potential energy surface for FH2O (X2A′) and dynamics for the F+ H2O→ HF+ HO reaction J Li, R Dawes, H Guo The Journal of Chemical Physics 137 (9), 2012 | 80 | 2012 |
| Automated construction of potential energy surfaces M Majumder, SA Ndengue, R Dawes Molecular Physics 114 (1), 1-18, 2016 | 77 | 2016 |
| Explicitly correlated MRCI-F12 potential energy surfaces for methane fit with several permutation invariant schemes and full-dimensional vibrational calculations M Majumder, SE Hegger, R Dawes, S Manzhos, XG Wang, C Tucker Jr, ... Molecular Physics 113 (13-14), 1823-1833, 2015 | 72 | 2015 |
| Ab Initio Wavenumber Accurate Spectroscopy: 1CH2 and HCN Vibrational Levels on Automatically Generated IMLS Potential Energy Surfaces R Dawes, AF Wagner, DL Thompson The Journal of Physical Chemistry A 113 (16), 4709-4721, 2009 | 68 | 2009 |
| Theoretical and Experimental Spectroscopy of the S2 State of CHF and CDF: Dynamically Weighted Multireference Configuration Interaction Calculations for High … R Dawes, AW Jasper, C Tao, C Richmond, C Mukarakate, SH Kable, ... The Journal of Physical Chemistry Letters 1 (3), 641-646, 2010 | 64 | 2010 |
Hua GuoDistinguished Professor of Chemistry, University of New MexicoEmail verificata su unm.edu