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2470 积分 2021-11-24 加入
Achieving Ultrahigh Energy Density and Excellent Stability in Carbon Pentazole
22天前
已完结
Dispersion leading potential energy surface of N2·NbN12−: Anion photoelectron spectroscopy and theoretical studies
30天前
已完结
Effect of load-resisting force on photoisomerization mechanism of a single second generation light-driven molecular rotary motor
30天前
已完结
Dynamics of hydride anion and acetyloxyl radical production by electron attachment to acetic acid
30天前
已完结
Combining the generalized quantum master equation approach with quasiclassical mapping Hamiltonian methods to simulate the dynamics of electronic coherences
30天前
已完结
Reactive behaviors and mechanism of methane/coal dust hybrid explosions inhibited by NH4H2PO4 and (NH4)2HPO4: A combined ReaxFF-MD and DFT study
1个月前
已完结
Development of a ReaxFF Reactive Force Field for Glycine and Application to Solvent Effect and Tautomerization
2个月前
已完结
Carbon cluster formation during thermal decomposition of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine and 1,3,5-triamino-2,4,6-trinitrobenzene high explosives from ReaxFF reactive molecular dynamics simulations
2个月前
已完结
Shock Waves in High-Energy Materials: The Initial Chemical Events in Nitramine RDX
2个月前
已完结
Thermal decomposition behaviors of adamantane and 1-methyladamantane in oxygen atmosphere: ReaxFF molecular dynamics simulation
3个月前
已完结
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