| 1 |
On the mixed oxides-supported niobium catalyst towards benzylamine oxidation
Granato AS, de Carvalho GSG, Fonseca CG, Adrio J, Leita AA, Amarante GW
Catalysis Today, 381, 118, 2021 |
| 2 |
Ab-initio study of the effects of charging on the adsorption and diffusion of Au2 on MgO(100)
Park JH, Yang JW, Byun MG, Hwang NM, Park J, Yu BD
Current Applied Physics, 24, 39, 2021 |
| 3 |
Phonon spectra of clean and Ni-terminated diamond (111) surfaces: An ab-initio study
Yang JW, Park JH, Byun MG, Hwang NM, Park J, Yu BD
Current Applied Physics, 21, 134, 2021 |
| 4 |
Monoclinic alpha-NaVOPO(4)as cathode materials for sodium-ions batteries: Experimental andDFTinvestigation
Iffer E, Belaiche M, Ferdi CA, Elansary M, Sunar AK, Wang YX, Cao YL
International Journal of Energy Research, 45(2), 1703, 2021 |
| 5 |
제1원리계산을 이용한 (Nb1-xTax)C, (Nb1-xHfx)C 초고온 세라믹 고용체의 구조 및 탄성특성
김명재, 김지우, 김지웅, 김경남
Korean Journal of Materials Research, 31(12), 682, 2021 |
| 6 |
Ab-initio molecular dynamics study on thermal property of NaCleCaCl(2) molten salt for high-temperature heat transfer and storage
Rong ZZ, Pan GCQ, Lu JF, Liu SL, Ding J, Wang WL, Lee DJ
Renewable Energy, 163, 579, 2021 |
| 7 |
Theoretical estimation of the apparent rate constants for ozone decomposition in gas and aqueous phases using ab initio calculations
Esfahani MP, Wu CC, De Visscher A
Canadian Journal of Chemical Engineering, 98(1), 274, 2020 |
| 8 |
Exploring the pyrolysis chemistry of prototype aromatic ester phenyl formate: Reaction pathways, thermodynamics and kinetics
Ning HB, Wu JJ, Ma LH, Ren W
Combustion and Flame, 211, 337, 2020 |
| 9 |
Chemical pathways for the formation of benzofuran and dibenzofuran in combustion
Shi XT, Wang Q, Violi A
Combustion and Flame, 212, 216, 2020 |
| 10 |
Theoretical kinetics analysis for (O) over dotH radical addition to 1,3-butadiene and application to model prediction
Bai JF, Cavallotti C, Zhou CW
Combustion and Flame, 221, 228, 2020 |
