Lv3
230 积分 2026-01-13 加入
A DFT perspective of potassium promotion of χ-Fe5C2(1 0 0)
16天前
已完结
Insights into Hägg Iron-Carbide-Catalyzed Fischer–Tropsch Synthesis: Suppression of CH 4 Formation and Enhancement of C–C Coupling on χ-Fe 5 C 2 (510)
16天前
已完结
The application of DFT calculation in the study of iron-based catalyst for Fischer-Tropsch synthesis
17天前
已完结
Insight of active phase transformation of α-Fe2O3 precursor in direct coal liquefaction: Experimental and DFT calculation
17天前
已完结
Theoretical elucidation of naphthalene hydrogenation to cis-decalin over Ni2P catalyst: A DFT combined with microkinetic modeling study
17天前
已完结
Prediction and Characterization of the Microcrystal Structures of Coal with Molecular Simulation
1个月前
已完结
Large-scale atomistic model construction of subbituminous and bituminous coals for solvent extraction simulations with reactive molecular dynamics
1个月前
已完结
Chemical bond dissociation insights into organic macerals pyrolysis of Qinghua bituminous coal: Vitrinite vs inertinite
1个月前
已完结
Multi-scale analysis on the aggregation mechanism of oxygen-rich coal-derived asphaltene molecules
1个月前
已完结
Molecular dynamic simulation of coal–solvent interactions in Permian-aged South African coals
1个月前
已完结