| 1 |
Insights into Nanomechanical Behavior and Molecular Mechanisms in Bombyx Mori Silk Fibroin in Saline Environment Using Molecular Dynamics Analysis
Patel M, Dubey DK, Singh SP
Macromolecular Research, 29(10), 694, 2021 |
| 2 |
Free energy of conformational change in a single chain of polyvinylidene fluoride using molecular simulations
Mireja S, Khakhar DV
Polymer Engineering and Science, 61(4), 1270, 2021 |
| 3 |
Studies on the interactions between nicosulfuron and degradation enzymes
Zhang Z, Yang DC, Wang JY, Huo JQ, Zhang JL
Process Biochemistry, 91, 99, 2020 |
| 4 |
Bridging two-liquid theory with molecular simulations for electrolytes: An investigation of aqueous NaCl solution
Saravi SH, Ravichandran A, Khare R, Chen CC
AIChE Journal, 65(4), 1315, 2019 |
| 5 |
A theoretical study on the adsorption of acid gases by boron nitride-based nanomaterials
Rozas S, Alcalde R, Atilhan M, Aparicio S
Applied Surface Science, 480, 83, 2019 |
| 6 |
Unlocking CO2 separation performance of ionic liquid/CuBTC composites: Combining experiments with molecular simulations
Polat HM, Zeeshan M, Uzun A, Keskin S
Chemical Engineering Journal, 373, 1179, 2019 |
| 7 |
Effects of ionic hydration and hydrogen bonding on flow resistance of ionic aqueous solutions confined in molybdenum disulfide nanoslits: Insights from molecular dynamics simulations
Zhang YM, Zhu W, Li JH, Zhu YD, Wang AR, Lu XH, Li W, Shi YJ
Fluid Phase Equilibria, 489, 23, 2019 |
| 8 |
Kirkwood-Buff integrals from molecular simulation
Dawass N, Kruger P, Schnell SK, Simon JM, Vlugt TJH
Fluid Phase Equilibria, 486, 21, 2019 |
| 9 |
Ono-Kondo lattice model for propane multilayer adsorption in organic nanopores in relation to shale gas
Pang WY, Jin ZH
Fuel, 235, 158, 2019 |
| 10 |
Spatial distribution of reservoir fluids in mature kerogen using molecular simulations
Perez F, Devegowda D
Fuel, 235, 448, 2019 |
