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Nanoparticles may have bigger impact on the environment than previously thought（图）
nanoparticle environment bigger impact on
2019/10/17
Over the last two decades, nanotechnology has improved many everyday products, from microelectronics to sunscreens. Nanoparticles (particles just a few hundred atoms in size) are ending up in the envi...
Impact of the Electron Density on the Fixed-Node Errors in Quantum Monte Carlo
the Electron Density the Fixed-Node Errors Quantum Monte Carlo
2011/8/5
Abstract: We analyze the effect of increasing charge density on the Fixed Node Errors in Diffusion Monte Carlo by comparing FN-DMC calculations of the total ground state energy on a 4 electron system ...
Theoretical Study on Impact of Single Water Molecule on OH+O3 Reaction
Ozone OH H2O Atmospheric chemistry Quantum chemical calculation
2012/4/5
Quantum chemical calculations are performed to study the reactions of OH and ozone with-out and with water to estimate whether the single water molecule can decrease the energy barrier of the OH radic...
The Impact of Polyacrylamide Molecular Weight on Its Adsorption Behavior at the Gold/Acidic Solution Interface
Electrosorption polyacrylamide polycrystalline gold adsorption isotherms radius of gyration
2010/4/19
Adsorption isotherms for polyacrylamide (PAA) on polycrystalline gold, from sulfuric acid (potential range 0-2.0 V/she; 293 K), were obtained by means of cyclic voltammetry with simultaneous monitorin...