First-principles investigations of reaction intermediates and transition states provide valuable insights into reaction mechanisms, as demonstrated, for instance, by numerous studies in the field of catalysis43,44,45,46,47,48,49,50,51,52,53,54,55,56,57. However, no universal, efficient, and rel...
The first three numbers of each line specify the phase-encode direction in the image coordinate system for the acquisition with (first line) and without (second line) phase-encode direction inversion. The last number of each line is the readout time 𝑡readtread given by Equation (A1). ...
By simulating LCVD with a moving laser beam in the moving coordinate system, the computational time will be substantially shortened, thereby enabling numerical simulation for a significant number of cases. Heat transfer in the substrate and gases is modeled as one problem with different thermal ...
cis-aconitate is docked into this defined grid box of the receptor. The constraint to ligand-receptor interaction was not set. Structural data accession number Coordinate and structural factor were deposited in the Protein Data Bank under PDB ID: 7BRA....
Each reactive collision corresponds to a unit step parallel to one of the coordinate axes ξ. Unfortunately, there is no reason why (1.5) should be unique. There may well be two different sets of ξρ that lead from n0 to the same n. That implies that there is a set of integers ξ...
(after WS2nanobelts were cycled for 20,000 times).hComparison of the influence of different sites and strains for the 1T and 2H-WS2phases on the HER performance.ΔGH*diagram of the different H adsorption sites. The inset is a TEM image (with false color) of WS2nanohelices [59], © ...
In summary we find the following prescription: write down all zero-point diagrams with the in-out Feynman rules and successively assign to every vertex on the worldlines a minus-labeled background. This single "hot" worldline vertex in a diagram then acts as a "sink" for the causality flow...
11Citations 4Altmetric Metrics Abstract The explorations to extend present chemical synthetic methods are of great importance to simplify synthetic routes of chemical species. Additionally, understanding the chemical reaction mechanisms is critical to achieve controllable synthesis for applications. Here, we ...
The enzymes can be displaced by imidazole suggesting that the protein preferentially coordinate to the Ni2+ ions by means of the (His)6-tag epitope group. This conclusion is true only under dilute conditions typical of flow cytometry, unlike what observed in batch format separations (see Section...
For example, the 2D blocks of RbLaTa2O7 are composed of corner-shared TaO6 octahedra, interleaved with 12 coordinate La3+ cations, and separated by a Rb+ interlayer cation. An essential feature of these materials consists of their ability to accommodate a variety of spacers into the ...