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Various molecular designs based on carbazole and diphenylamine moieties are found to constitute novel hole transporting amorphous molecular materials, as characterized by differential scanning calorimetry and time of flight method.
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A novel 6-aminopurine scaffold bearing an N9-cis-cyclobutyl N9-cis-cyclobutyl N9-cis-cyclobutyl-based moietylar design based on twasknown Cdesigneditors, dinaciclib and Cmpd-27.
For the resulting integrated process and solvent design problem, we present a hybrid stochastic-deterministic optimization approach combining computer-aided molecular design based on COSMO-RS and pinch-based process models for reactions and separations.
For this purpose, COSMO-CAMD is presented as framework for molecular design based on COSMO-RS.
The results revealed a new rule of molecular design based on anthracene derivatives for obtaining high performance blue emission materials.
Evolutionary molecular design based on genetic algorithms (GAs) has been demonstrated to be a flexible and efficient optimization approach with potential for locating global optima.
Astonishing electroluminescence performance is envisioned by promoting the molecular design based on experience and theoretical calculations along with the single crystal X-Ray analysis.
The molecular design based on a stereo-sensing mechanism was the key to the success in the kinetic resolution of 5-[4- 1-hydroxyethyl phenyl]-10,15,20-triphenylporphyrin.
Here, we report a molecular design based on oligo calixarene catenanes-calixarene dimers held together by 16 hydrogen bridges-in which loops within the molecules limit how far the calixarene nanocapsules can be separated.
The molecular design was based on the SAR features of indolin-2-ones as kinase inhibitors.
The molecular design is based on a pegylated cyclodextrin scaffold that bears both a heme-binding pocket and an axial ligand that binds an iron porphyrin.
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