Lv4
780 积分 2025-08-27 加入
Force Field Parameters for Ammonium Perchlorate Validated Using Surface Energies and Applied to Interactions with Polymer Binder
11天前
已完结
Modulating coordinate site occupancy in high-entropy spinel electrocatalysts
20天前
已完结
Revealing reaction kinetics in ammonium perchlorate (AP) combustion using an EM-HyChem approach
1个月前
已关闭
EM-HyChem: Bridging molecular simulations and chemical reaction neural network-enabled approach to modelling energetic material chemistry
1个月前
已完结
Pressure-aided synthesis, structural transitions, metallization, and band gap narrowing in a silicon-based two-dimensional hexagonalSi2Te3
1个月前
已完结
Exploring the Built-in Electric Field in Single Core–Shell Microcrystals for Exceptional Iodine-131 Uptake
1个月前
已完结
Reaction Network of Ammonium Perchlorate (AP) Decomposition: The Missing Piece from Atomic Simulations
1个月前
已完结
DFTB3 Parametrization for Copper: The Importance of Orbital Angular Momentum Dependence of Hubbard Parameters
1个月前
已完结
Effects of metal–organic complex Ni(Salen) on thermal decomposition of 1,1-diamino-2,2-dinitroethylene (FOX-7)
1个月前
已完结
Mechanistic Investigation on the Initial Thermal Decomposition of Energetic Materials FOX-7 and RDX in the Crystal and Gas Phase: An MM/DFT-Based ONIOM Calculation
3个月前
已完结
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