Electrostatic properties of proteins are crucial for their functionality. Carboxyamides are small polar groups that, as peptide bonds, are principal structural components of proteins that govern their electrostatic properties. We investigated the medium dependence of the molar polarization and of the permanent dipole moments of amides with different state of alkylation. The experimentally measured and theoretically calculated dipole moments manifested a solvent dependence that increased with the increase in the media polarity. We ascribed the observed enhancement of the amide polarization to the reaction fields in the solvated cavities. Chloroform, for example, caused about a 25% increase in the amide dipole moments determined for vacuum, as the experimental and theoretical results demonstrated. Another chlorinated solvent, 1,1,2,2-tetrachloroethane, however, caused an "abnormal" increase in the experimentally measured amide dipoles, which the theoretical approaches we used could not readily quantify. We showed and discussed alternatives for addressing such discrepancies between theory and experiment.

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Monolayer MoS 2 , MoSe 2 , MoTe 2 , WS 2 , WSe 2 , and black phosphorous field effect transistors (FETs) operating in the low-voltage (LV) regime (0.3V) with geometries from the 2019 and 2028 nodes of the 2013 International Technology Roadmap for Semiconductors (ITRS) are benchmarked along with an ultra-thin-body Si FET. Current can increase or decrease with scaling, and the trend is strongly correlated with the effective mass. For LV operation at the 2028 node, an effective mass of ∼ 0.4 m 0 , corresponding to that of WSe 2 , gives the maximum drive current. The short 6 nm gate length combined with LV operation is forgiving in its requirements for material quality and contact resistances. In this LV regime, device and circuit performance are competitive using currently measured values for mobilities and contact resistances for the monolayer two-dimensional materials. Index TermsFET, van der Waals materials, 2D materials, transition metal dichalcogenide, black phosphorous, UTB Si, benchmarking

Rotational spectra and temperature evaluation of C 2 molecules produced by pulsed laser irradiation to a graphite-water interface

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