| Self-diffusion coefficients of methane/n-hexane mixtures at high pressures: An evaluation of the finite-size effect and a comparison of force fields TJP dos Santos, CRA Abreu, BAC Horta, FW Tavares The Journal of Supercritical Fluids 155, 104639, 2020 | 20 | 2020 |
| Predicting 1 H NMR relaxation in Gd 3+-aqua using molecular dynamics simulations PM Singer, AV Parambathu, TJP Dos Santos, Y Liu, LB Alemany, ... Physical Chemistry Chemical Physics 23 (37), 20974-20984, 2021 | 16 | 2021 |
| Fick diffusion coefficients via molecular dynamics: An alternative approach in the Fourier domain TJP dos Santos, FW Tavares, CRA Abreu Journal of Molecular Liquids 329, 115460, 2021 | 11 | 2021 |
| A molecular study on the behavior of polyethoxylated alkyl ethers surfactants in a water/n-alkane interface AM Luz, TJP Dos Santos, GD Barbosa, CLM Camargo, FW Tavares Colloids and Surfaces A: Physicochemical and Engineering Aspects 651, 129627, 2022 | 10 | 2022 |
| Thermal and concentration effects on 1 H NMR relaxation of Gd 3+-aqua using MD simulations and measurements TJP Dos Santos, AV Parambathu, CC Fraenza, C Walsh, SG Greenbaum, ... Physical Chemistry Chemical Physics 24 (45), 27964-27975, 2022 | 10 | 2022 |
| Theory and modeling of molecular modes in the NMR relaxation of fluids TJ Pinheiro dos Santos, B Orcan-Ekmekci, WG Chapman, PM Singer, ... The Journal of Chemical Physics 160 (6), 2024 | 3 | 2024 |
| Molecular modes elucidate the nuclear magnetic resonance relaxation of viscous fluids A Valiya Parambathu, TJ Pinheiro dos Santos, WG Chapman, GJ Hirasaki, ... The Journal of Physical Chemistry B 128 (33), 8017-8028, 2024 | 2 | 2024 |
| Comment on" Calculation of Solid-Fluid Interfacial Free Energy with Consideration of Solid Deformation by Molecular Dynamics" AV Parambathu, TJP Dos Santos, WG Chapman, DN Asthagiri The journal of physical chemistry. A 126 (10), 1782–1783, 2022 | 1 | 2022 |
| A New Scientific Approach to Interpret NMR Relaxation Response Using Molecular Dynamics Simulations: A Molecular Probe of Material Properties and MRI Contrast Agents TJP Dos Santos, AV Parambathu, D Asthagiri, P Singer, W Chapman, ... 2023 AIChE Annual Meeting, 2023 | | 2023 |
| Molecular Modes from NMR Relaxation in Fluids: Going Beyond the Bpp Theory AV Parambathu, P Singer, TJP Dos Santos, GJ Hirasaki, W Chapman, ... 2022 AIChE Annual Meeting, 2022 | | 2022 |
| Molecular Dynamics of Ethoxylated Surfactants in Water/N-Heptane Interface AM Luz, GD Barbosa, TJP Dos Santos, CLM Camargo, FW Tavares 2022 AIChE Annual Meeting, 2022 | | 2022 |
Walter G. ChapmanRice UniversityVerified email at rice.edu