Amides represent an important class of nitrogen-containing compounds in the atmosphere that can in theory interact with atmospheric acidic particles and contribute to secondary aerosol formation. In this study, uptake coefficients (γ) of six alkylamides (C
The journal of physical chemistry. A, 116(1), 347-357 (2011-11-18)
IR probes have been extensively used to monitor local electrostatic and solvation dynamics. Particularly, their vibrational frequencies are highly sensitive to local solvent electric field around an IR probe. Here, we show that the experimentally measured vibrational frequency shifts can
The journal of physical chemistry. A, 115(1), 30-34 (2010-12-15)
For spectroscopic studies of peptide and protein thermal denaturation it is important to single out the contribution of the solvent to the spectral changes from those originated in the molecular structure. To obtain insights into the origin and size of
Journal of computational chemistry, 33(24), 1907-1917 (2012-06-01)
Considering N-methylacetamide (NMA) as a model compound, new interaction parameters are developed for the amide function in the GROMOS force field that are compatible with the recently derived 53A6(OXY) parameter set for oxygen-containing chemical functions. The resulting set, referred to
Physical chemistry chemical physics : PCCP, 13(18), 8422-8432 (2011-02-19)
A recently formulated intermolecular potential has been adapted to describe the interaction of the N-methylacetamide (NMA) dimer and of the NMA-H(2)O adduct. The pure electrostatic component of the intermolecular potential functional representation is as usual expressed in terms of a
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