Hydrocarbon Separations in a Metal-Organic Framework with Open Iron(II) Coordination Sites
Graph Chatbot
Chattez avec Graph Search
Posez n’importe quelle question sur les cours, conférences, exercices, recherches, actualités, etc. de l’EPFL ou essayez les exemples de questions ci-dessous.
AVERTISSEMENT : Le chatbot Graph n'est pas programmé pour fournir des réponses explicites ou catégoriques à vos questions. Il transforme plutôt vos questions en demandes API qui sont distribuées aux différents services informatiques officiellement administrés par l'EPFL. Son but est uniquement de collecter et de recommander des références pertinentes à des contenus que vous pouvez explorer pour vous aider à répondre à vos questions.
The air-free reaction between FeCl2 and H4dobdc (dobdc4- = 2,5-dioxido-1,4-benzenedicarboxylate) in a mixt. of N,N-dimethylformamide (DMF) and methanol affords Fe2(dobdc)·4DMF, a metal-org. framework adopting the MOF-74 (or CPO-27) structure type. The deso ...
Uniform Pd nanocrystals of cubic, octahedral and cube-octahedral shapes were synthesized via a solution-phase method using two stabilizers: poly (vinyl pyrrolidone) (PVP) and di-2-ethylhexylsulfoccinate (AOT) and tested in the hydrogenation of 2-methyl-3-b ...
Energies computed by B3LYP and other popular DFT functionals are flawed by systematic errors, which can become considerable for larger mols. These errors, predominately due to inadequacies in assessing longer-range non-bonded attractive effects, are illust ...
Polycarboxylate molecules and oligomers have been investigated as growth modifiers during seeded calcite precipitation. To better understand possible molecular interactions and kinetic effects, additives with different structures and molecular weights have ...
Metal-organic frameworks of the family M2 (2,5-dioxido-1,4-benzenedicarboxylate) wherein M=Mg, Mn, Fe, Co, Cu, Ni or Zn are a group of porous crystalline materials formed of metal cations or clusters joined by multitopic organic linkers that can be used to ...
The rheological behavior of two hyperbranched polymer/silica suspensions with different dispersion states, surface chemistries, and concentrations of the silica nanoparticles was investigated in terms of viscoelastic properties, activation energy for visco ...
Density functional approximations fail to provide an accurate treatment of weak interactions. More recent, but not readily available functionals can lead to significant improvements. A simple alternative to correct for the missing weak interactions is to a ...
Energies computed by B3LYP and other popular DFT functionals are flawed by systematic errors, which can become considerable for larger mols. These errors, predominately due to inadequacies in assessing longer-range nonbonded attractive effects (dispersion) ...
Terephthalic acid (TPA) deposited on Si(111)-7 x 7, Si(111)-root 3 x root 3-Ag and Ag(111) has been studied as a model system to understand how much passivated semiconductor surfaces differ from semiconductor and metal surfaces in respect of supramolecular ...
Dispersion corrected atom centered potentials (DCACPs) have been shown to significantly improve the density functional theory (DFT) description of weak interactions. In this work, we have calibrated a DCACP for sulfur in combination with the widely used Ge ...
