| Vibrational density of states of strongly H-bonded interfacial water: Insights from inelastic neutron scattering and theory HW Wang, MJ DelloStritto, N Kumar, AI Kolesnikov, PRC Kent, JD Kubicki, ... The Journal of Physical Chemistry C 118 (20), 10805-10813, 2014 | 62 | 2014 |
| Effect of Ions on H-bond structure and dynamics at the quartz (101)–water interface MJ DelloStritto, JD Kubicki, JO Sofo Langmuir 32 (44), 11353-11365, 2016 | 50 | 2016 |
| Probing Heterogeneous Charge Distributions at the α-Al2O3(0001)/H2O Interface SM Piontek, M DelloStritto, B Mandal, T Marshall, ML Klein, E Borguet Journal of the American Chemical Society 142 (28), 12096-12105, 2020 | 41 | 2020 |
| Relating Interfacial Order to Sum Frequency Generation with Ab Initio Simulations of the Aqueous Al2O3(0001) and (112̅0) Interfaces M DelloStritto, SM Piontek, ML Klein, E Borguet The Journal of Physical Chemistry C 122 (37), 21284-21294, 2018 | 40 | 2018 |
| Aqueous solvation of the chloride ion revisited with density functional theory: impact of correlation and exchange approximations M DelloStritto, J Xu, X Wu, ML Klein Physical Chemistry Chemical Physics 22 (19), 10666-10675, 2020 | 37 | 2020 |
| Sodium halide adsorption and water structure at the α-alumina (0001)/water interface R Wang, M DelloStritto, RC Remsing, V Carnevale, ML Klein, E Borguet The Journal of Physical Chemistry C 123 (25), 15618-15628, 2019 | 37 | 2019 |
| Density functional theory simulation of hydrogen-bonding structure and vibrational densities of states at the quartz (1 0 1)-water interface and its relation to dissolution as … MJ Dellostritto, J Kubicki, JO Sofo Journal of Physics: Condensed Matter 26 (24), 244101, 2014 | 34 | 2014 |
| Effect of Functional and Electron Correlation on the Structure and Spectroscopy of the Al2O3(001)–H2O Interface MJ DelloStritto, SM Piontek, ML Klein, E Borguet The Journal of Physical Chemistry Letters 10 (9), 2031-2036, 2019 | 28 | 2019 |
| Importance of nuclear quantum effects on the hydration of chloride ion J Xu, Z Sun, C Zhang, M DelloStritto, D Lu, ML Klein, X Wu Physical Review Materials 5 (1), L012801, 2021 | 24 | 2021 |
| Bond Polarizability Model for Sum Frequency Generation at the Al2O3(0001)–H2O Interface M DelloStritto, J Sofo The Journal of Physical Chemistry A 121 (16), 3045-3055, 2017 | 24 | 2017 |
| Predicting the properties of NiO with density functional theory: Impact of exchange and correlation approximations and validation of the r2SCAN functional MJ DelloStritto, AD Kaplan, JP Perdew, ML Klein APL Materials 11 (6), 2023 | 18 | 2023 |
| Probing the gold/water interface with surface-specific spectroscopy SM Piontek, D Naujoks, T Tabassum, MJ DelloStritto, M Jaugstetter, ... ACS Physical Chemistry Au 3 (1), 119-129, 2023 | 16 | 2023 |
| Modeling the ultrafast electron attachment dynamics of solvated uracil CS Anstoter, M DelloStritto, ML Klein, S Matsika The Journal of Physical Chemistry A 125 (32), 6995-7003, 2021 | 16 | 2021 |
| Topological properties of interfacial hydrogen bond networks R Wang, M DelloStritto, ML Klein, E Borguet, V Carnevale Physical Review B 110 (1), 014105, 2024 | 15 | 2024 |
| Bond-dependent Thole model for polarizability and spectroscopy M DelloStritto, ML Klein, E Borguet The Journal of Physical Chemistry A 123 (25), 5378-5387, 2019 | 15 | 2019 |
| Effect of Interlayer Co2+ on Structure and Charge Transfer in NiFe Layered Double Hydroxides MJ DelloStritto, AC Thenuwara, ML Klein, DR Strongin The Journal of Physical Chemistry C 123 (22), 13593-13599, 2019 | 15 | 2019 |
| Understanding strain and failure of a knot in polyethylene using molecular dynamics with machine-learned potentials M DelloStritto, ML Klein The Journal of Physical Chemistry Letters 15 (35), 9070-9077, 2024 | 6 | 2024 |
| Detecting liquid–liquid phase separations using molecular dynamics simulations and spectral clustering M Farshad, MJ DelloStritto, A Suma, V Carnevale The Journal of Physical Chemistry B 127 (16), 3682-3689, 2023 | 5 | 2023 |
| Shear response in crystalline models of poly (p-phenylene terephthalamide) G Fiorin, MJ DelloStritto, S Percec, ML Klein Molecular Physics 119 (19-20), e1948122, 2021 | 5 | 2021 |
| Tanʼs universal contact and collective oscillations of strongly interacting Fermi gases M DelloStritto, TN De Silva Physics Letters A 376 (34), 2298-2305, 2012 | 3 | 2012 |
