Richard Dawes
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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
1632006
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
1292015
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), 084107, 2008
1152008
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), 041103, 2012
1052012
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), 184108, 2007
1032007
Nitrous oxide dimer: A new potential energy surface and rovibrational spectrum of the nonpolar isomer
R Dawes, XG Wang, AW Jasper, T Carrington Jr
The Journal of chemical physics 133 (13), 134304, 2010
962010
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), 201103, 2013
912013
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
882015
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
882011
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), 081102, 2011
822011
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 Jr
The Journal of chemical physics 122 (13), 134101, 2005
812005
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
742014
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), 094304, 2012
682012
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
592009
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
542015
Automated construction of potential energy surfaces
M Majumder, SA Ndengue, R Dawes
Molecular Physics 114 (1), 1-18, 2016
532016
Kinetic isotope effect of the 16O + 36O2 and 18O + 32O2 isotope exchange reactions: Dominant role of reactive resonances revealed by an accurate time …
Z Sun, D Yu, W Xie, J Hou, R Dawes, H Guo
The Journal of chemical physics 142 (17), 174312, 2015
522015
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
512013
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
512010
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
502015
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