نتایج جستجو برای: chemical dispersion
تعداد نتایج: 436504 فیلتر نتایج به سال:
Immobilization of gold nanoparticles on planar surfaces is of great interest to many scientific communities; chemists, physicists, biologists, and the various communities working at the interfaces between these disciplines. Controlling the immobilization step, especially nanoparticles dispersion and coverage, is an important issue for all of these communities. We studied the parameters that can...
Modern quantum chemical electronic structure methods typically applied to localized chemical bonding are developed to predict atomic structures and free energies for meso-tetraalkylporphyrin self-assembled monolayer (SAM) polymorph formation from organic solution on highly ordered pyrolytic graphite surfaces. Large polymorph-dependent dispersion-induced substrate-molecule interactions (e.g., -1...
We propose a mechanism naturally leading to the spontaneous symmetry breaking in a gauge theory. The Higgs field is assumed to have global and gauged internal symmetries. We associate a non zero chemical potential to one of the globally conserved charges commuting with all of the gauge transformations. This induces a negative mass squared for the Higgs field triggering the spontaneous symmetry ...
The modeling of dispersion interactions in density functional theory (DFT) is commonly performed using an energy correction that involves empirically fitted parameters for all atom pairs of the system investigated. In this study, the first-principles-derived dispersion energy from the effective fragment potential (EFP) method is implemented for the density functional theory (DFT-D(EFP)) and Har...
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