| On the accuracy of the MB-pol many-body potential for water: Interaction energies, vibrational frequencies, and classical thermodynamic and dynamical properties from clusters … SK Reddy, SC Straight, P Bajaj, C Huy Pham, M Riera, DR Moberg, ... The Journal of chemical physics 145 (19), 2016 | 320 | 2016 |
| Preordering of water is not needed for ice recognition by hyperactive antifreeze proteins A Hudait, DR Moberg, Y Qiu, N Odendahl, F Paesani, V Molinero Proceedings of the National Academy of Sciences 115 (33), 8266-8271, 2018 | 120 | 2018 |
| Temperature-dependent vibrational spectra and structure of liquid water from classical and quantum simulations with the MB-pol potential energy function SK Reddy, DR Moberg, SC Straight, F Paesani The Journal of Chemical Physics 147 (24), 2017 | 120 | 2017 |
| Mechanism of Hydrodeoxygenation of Acrolein on a Cluster Model of MoO3 DR Moberg, TJ Thibodeau, FG Amar, BG Frederick The Journal of Physical Chemistry C 114 (32), 13782-13795, 2010 | 109 | 2010 |
| Molecular Origin of the Vibrational Structure of Ice Ih DR Moberg, SC Straight, C Knight, F Paesani The Journal of Physical Chemistry Letters 8 (12), 2579-2583, 2017 | 94 | 2017 |
| Temperature dependence of the air/water interface revealed by polarization sensitive sum-frequency generation spectroscopy DR Moberg, SC Straight, F Paesani The Journal of Physical Chemistry B 122 (15), 4356-4365, 2018 | 84 | 2018 |
| Orientational distribution of free OH groups of interfacial water is exponential S Sun, F Tang, S Imoto, DR Moberg, T Ohto, F Paesani, M Bonn, ... Physical review letters 121 (24), 246101, 2018 | 83 | 2018 |
| The end of ice I DR Moberg, D Becker, CW Dierking, F Zurheide, B Bandow, U Buck, ... Proceedings of the National Academy of Sciences 116 (49), 24413-24419, 2019 | 78 | 2019 |
| Watching a hydroperoxyalkyl radical (• QOOH) dissociate AS Hansen, T Bhagde, KB Moore III, DR Moberg, AW Jasper, ... Science 373 (6555), 679-682, 2021 | 53 | 2021 |
| Molecular-level interpretation of vibrational spectra of ordered ice phases DR Moberg, PJ Sharp, F Paesani The Journal of Physical Chemistry B 122 (46), 10572-10581, 2018 | 46 | 2018 |
| Neat water–vapor interface: Proton continuum and the nonresonant background S Sengupta, DR Moberg, F Paesani, E Tyrode The Journal of Physical Chemistry Letters 9 (23), 6744-6749, 2018 | 41 | 2018 |
| Permutationally invariant polynomial expansions with unrestricted complexity DR Moberg, AW Jasper Journal of Chemical Theory and Computation 17 (9), 5440-5455, 2021 | 17 | 2021 |
| Water structure at the interface of alcohol monolayers as determined by molecular dynamics simulations and computational vibrational sum-frequency generation spectroscopy DR Moberg, Q Li, SK Reddy, F Paesani The Journal of Chemical Physics 150 (3), 2019 | 13 | 2019 |
| Thermal weights for semiclassical vibrational response functions DR Moberg, M Alemi, RF Loring The Journal of Chemical Physics 143 (8), 2015 | 10 | 2015 |
| Parsimonious Potential Energy Surface Expansions Using Dictionary Learning with Multipass Greedy Selection DR Moberg, AW Jasper, MJ Davis The Journal of Physical Chemistry Letters 12 (37), 9169-9174, 2021 | 7 | 2021 |
| Inefficient intramolecular vibrational energy redistribution for the H + HO2 reaction and negative internal energy dependence for its rate constant AW Jasper, DR Moberg, Y Tao, SJ Klippenstein, R Sivaramakrishnan Frontiers in Physics 10, 1003010, 2022 | 3 | 2022 |
| Hydrodeoxygenation of acrolein and allyl alcohol: Model compounds for upgrading of biomass derived feedstocks TJ Thibodeau, BG Frederick, MC Wheeler, WJ DeSisto, DR Moberg, ... Papers of the American Chemical Society 238, 2009 | 3 | 2009 |
| Sun et al. Reply: S Sun, F Tang, S Imoto, DR Moberg, T Ohto, F Paesani, M Bonn, ... Physical Review Letters 123 (9), 099602, 2019 | 2 | 2019 |
| Water Structure at the Interface of Alcohol Monolayers as Predicted by Computational Vibrational Sum-Frequency Generation Spectroscopy DR Moberg, Q Li, SK Reddy | 1 | 2018 |
| Theoretical investigation of tungsten oxide bronzes as hydrodeoxygenation catalyts FG Amar, BG Frederick, TJ Thibodeau, C Goodwin, D Moberg ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 246, 2013 | 1 | 2013 |