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fxcoudert added the bug label Jun 21, 2024 Author fxcoudert commented Jun 21, 2024 • edited Parts of CrystalNN get the right information. For example: crystallnn.get_cn(structure, 0) returns 8, which is correct crystallnn.get_cn_dict(structure, 0) returns {'Co': 8}, also ...
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Abstract The Signal is an end-to-end encrypted communication protocol composed of a double ratchet (DR) protocol and an extended triple Diffie-Hellman (X3DH) protocol. Its complex ratchet structure and the characteristics of protocol composition make it challenging to realize formal analysis. A for...
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settings of the different service types local http service soap service working in marvinsketch structure display options customizing structure drawing styles drawing settings drawing styles structure display color schemes display options for implicit and explicit hydrogens displaying the label of carbon ...
Reaction pathway and computational energy profile of nitrobenzene hydrogenation on the Pt2/g-C3N4catalyst. The label S0 represents the initial state and the subsequent labels S1–S12 represent a series of intermediate states. The labels TS1–TS6 (TS is short for transition states) represent a ser...
performing these experiments, Thomson discovered a particle that had mass, but also had a negative charge The negatively charged particle was called the electron; Thomson also proposed that atoms contained positively charged particles as well to balance out the electrons and give the atom a neutral ...
and label them as high-entropy single-atom catalysts. Various high-entropy single-atom catalysts with tunable multicomponent are successfully synthesized with the same method by adjusting only the printing templates and carbonization parameters. To prove utility, quinary high-entropy single-atom catalysts...
These effects are most noticeable with the isotopes of hydrogen because the mass differences are two- and threefold. This means that the labeled material will be more stable than the non-labeled and as a consequence the proportion of label will increase in the reactant but be less in the ...