| Issue |
| Total 17 articles [ 키워드: DFT ] |
| No. | Article |
| 1 |
Korean Journal of Chemical Engineering, 40 (8), pp.2010-2016 (2023) A novel fluorescent turn-on probe based on thiosemicarbazide-naphthalene for selectively detecting Zn2+ Minji Lee, Sungjin Moon, Dongkyun Gil, et al. |
| 2 |
Korean Journal of Chemical Engineering, 40 (7), pp.1672-1685 (2023) Applicability of HFSLM for Nd(III) recovery via organophosphorus carrier: A conceptual DFT approach towards structural chemistry, mechanistic investigation and transport behavior Vanee Mohdee, Nisit Sulaiman, Wikorn Punyain, et al. |
| 3 |
Korean Journal of Chemical Engineering, 39 (12), pp.3305-3314 (2022) Sb-Fe bimetallic non-aqueous phase desulfurizer for efficient absorption of hydrogen sulfide: A combined experimental and DFT study Liu Z, Qiu K, Dong Y, et al. |
| 4 |
Korean Journal of Chemical Engineering, 39 (3), pp.664-673 (2022) UV-Visible spectroscopic and DFT studies of the binding of ciprofloxacinhydrochloride antibiotic drug with metal ions at numerous temperatures Uddin MA, Sutonu BH, Rub MA, et al. |
| 5 |
Korean Journal of Chemical Engineering, 39 (2), pp.343-352 (2022) Enhanced photocatalytic activity on elemental mercury over pink BiOIO3 nanosheets with abundant oxygen vacancies Ling Y, Li J, Wu J, et al. |
| 6 |
Korean Journal of Chemical Engineering, 37 (8), pp.1295-1305 (2020) Computational approaches to the exsolution phenomenon in perovskite oxides with a view to design highly durable and active anodes for solid oxide fuel cells Kim KH, Lim CS, Han JW |
| 7 |
Korean Journal of Chemical Engineering, 37 (4), pp.641-651 (2020) Molybdenum trioxide impregnated carbon aerogel for gaseous elemental mercury removal Ling Y, Man X, Zhang W, et al. |
| 8 |
Korean Journal of Chemical Engineering, 36 (12), pp.2023-2034 (2019) A combined experimental and theoretical investigation of the adsorption of 4-Nitrophenol on activated biocarbon using DFT method Supong A, Bhomick PC, Sinha UB, et al. |
| 9 |
Korean Journal of Chemical Engineering, 36 (8), pp.1258-1266 (2019) Density functional theory study of NOx adsorption on alkaline earth metal oxide and transition metal surfaces Lim JY, Kim KH, Kim EY, et al. |
| 10 |
Korean Journal of Chemical Engineering, 36 (5), pp.643-649 (2019) Room temperature CO2 fixation via cyclic carbonate synthesis over vanadium-MOF catalysts Kuruppathparambil RR, Babu R, Jeong HC, et al. |
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