Formic Acid-Ammonia Heterodimer: A New Δ-Machine Learning CCSD(T)-Level Potential Energy Surface Allows Investigation of the Double Proton Transfer.

The formic acid-ammonia dimer is an important example of a hydrogen-bonded complex in which a double proton transfer can occur. Its microwave spectrum has recently been reported and rotational constants and quadrupole coupling constants were determined. Calculated estimates of the double-well barrier and the internal barriers to rotation were also reported.

Mass transport in sub-2-microm high-performance liquid chromatography.

Ultra-high pressure liquid chromatography enables increased separation speed and efficiency. The quantitative improvement in efficiency is lower than that predicted by theory, and the reasons are not known. In this work, slow mass transport due to analyte desorption from the stationary phase is discussed as a possible contribution to the lower than expected efficiency.