https://www.selleckchem.com/pr....oducts/Vorinostat-sa
The average energy gap change (%EH-La) and % sensitivity are quantitatively determined to evaluate the sensing capability of the twisted nanographenes. Among the selected CWAs molecules, the sensitivity of tNG analogues (C32H16 and C64H32) is superior towards thiophosgene (ThP), which is revealed by the high interaction energies of -8.19 and - 12.17 kcal/mol, respectively. This theoretical study will help experimentalists to devise novel sensors based on twisted nanographenes for the detection of toxic CWAs which may also work e
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