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While some of these objectives might sound trivial in the case of small datasets, they can be relevant for datasets in the hundreds of thousands of molecules range.
For all the selected 78 molecules in this study, it was observed that less than 20% of the molecules are having molecular weights >450, while most molecules range around 300 350, indicating their viability for additional medicinal chemistry amenable nature.
The theoretical values of the open circuit voltage Voc of the studied molecules range from 1.499 to 1.804 eV in the case of PC60BM and 0.425 to 0.73 eV in the case of PC71BM (Table 3), these values are sufficient for a possible efficient electron injection into LUMO of the acceptor.
The theoretical values of the open circuit voltage Voc of the studied molecules range from 1.499 to 1.804 eV in the case of PC60BM and 0.425 to 0.73 eV in the case of PC71BM, these values are sufficient for a possible efficient electron injection.
The average size of the cavities encapsulating the macrocyclic molecules range from 2.0 to 3.6 nm; the precise size depends on the cation present in the complex and on the identity and position of the substituent groups at the periphery of the macrocycle.
The spectra were acquired over a period of 2 years; the molecules range in mass from 117 Da to ∼1000 Da.
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Then they provided groups of computer scientists — all entrants in a competition called the DREAM Olfaction Prediction Challenge — with more than four thousand pieces of information about the molecules, ranging from their component atoms to their 3-D shapes.
The reorganization energy of organic molecules ranges from 0.1 to 0.3 eV.
Many anticancer agents such as liposomes and gene vectors are large molecules ranging in size from 90 to 300 nm.
Molecules ranging in length (L) from 22 to 84 micrometers were held stationary against the flow by the optical trapping of a latex microsphere attached to one end.
ABCG2 plays roles in transporting both xenobiotics [37, 38] and diverse endogenous molecules, ranging from heme [39, 40] to urate [41] to riboflavin [38].
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