| Issue |
| Total 14 articles [ 키워드: Molecular Dynamics ] |
| No. | Article |
| 1 |
Korean Journal of Chemical Engineering, 40 (3), pp.539-547 (2023) Data-driven designs and multi-scale simulations of enhanced ion transport in low-temperature operation for lithium-ion batteries Chang HJ, Park YJ, Kim JH, et al. |
| 2 |
Korean Journal of Chemical Engineering, 39 (7), pp.1831-1838 (2022) Polymerization mechanism of polyferric aluminum phosphatic sulfate (PFAPS) and its flocculation effect on simulated dye wastewater Li S, Kang Y |
| 3 |
Korean Journal of Chemical Engineering, 39 (6), pp.1368-1374 (2022) Computational discovery of novel human LMTK3 inhibitors by high throughput virtual screening using NCI database Krishnan A, Dhamodharan D, Sundaram T, et al. |
| 4 |
Korean Journal of Chemical Engineering, 39 (3), pp.717-723 (2022) Enhancement of supercritical carbon dioxide solubility modelsusing molecular simulation data Moradi H, Rezamandi N, Azizpour H, et al. |
| 5 |
Korean Journal of Chemical Engineering, 35 (4), pp.900-908 (2018) Treatment of penicillin with supercritical water oxidation: Experimental study of combined ReaxFF molecular dynamics Ma T, Hu T, Jiang D, et al. |
| 6 |
Korean Journal of Chemical Engineering, 34 (4), pp.977-986 (2017) Prediction of the self-diffusion coefficients in aqueous KCl solution using molecular dynamics: A comparative study of two force fields Esmaeilbeig MA, Movahedirad S |
| 7 |
Korean Journal of Chemical Engineering, 33 (1), pp.255-259 (2016) Hydrogen bond dynamics in liquid water: Ab initio molecular dynamics simulation Kim C, Yeom MS, Kim E |
| 8 |
Korean Journal of Chemical Engineering, 32 (3), pp.494-500 (2015) Molecular dynamics simulation of carbon molecular sieve preparation for air separation Yaghoobpour E, Ahmadpour A, Farhadian N, et al. |
| 9 |
Korean Journal of Chemical Engineering, 30 (3), pp.693-699 (2013) Structural properties of water around uncharged and charged carbon nanotubes Dezfoli ARA, Mehrabian MA, Rafsanjani HH |
| 10 |
Korean Journal of Chemical Engineering, 26 (1), pp.214-219 (2009) Molecular modeling and experimental verification of lipase-catalyzed enantioselective esterification of racemic naproxen in supercritical carbon dioxide Kwon CH, Jeong JY, Kang JW |
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