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We introduce a new tool for the performance of Hueckel molecular orbital calculations on a smartphone using a simple graphical input. It produces all routine output expected from a Hueckel calculation. Advanced users may also study things like Moebius rings, hetero systems, or Pauli‐antisymmetry constraints in monocycles. In short, in addition to its main use in teaching, the app can also be employed for fast estimate in research, be it only to assess whether the application of state‐of‐the‐art quantum chemical calculations may be warranted.  相似文献   

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Mechanochemistry offers a wide spectrum of possible applications. The standard preparation methods of solid state chemistry often require high temperatures or pressures, well defined gas atmospheres or special reactants' conditions. In the mechanochemical process not more than an adequately powerful ball mill with accessories is required. With this method, a lot of chemical reactions can be carried out via a non-thermal, sustainable reaction pathway.  相似文献   

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《Nachrichten aus der Chemie》2015,63(12):1259-1259
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