نتایج جستجو برای: microsolvation
تعداد نتایج: 118 فیلتر نتایج به سال:
We have measured the pH-dependent H, C, and N NMR spectra of pyridoxal 50-phosphate (C2-PLP) mixed with equal amounts of either doubly N-labeled diaminopropane, NR-labeled L-lysine, or Nε-labeled L-lysine as model systems for various intermediates of the transimination reaction in PLPdependent enzymes. At low pH, only the hydrate and aldehyde forms of PLP and the free protonated diamines are pr...
Photoelectron spectroscopy is combined with ab initio calculations to study the microsolvation of the dicyanamide anion, N(CN)(2)(-). Photoelectron spectra of [N(CN)(2)(-)](H2O)n (n = 0-12) have been measured at room temperature and also at low temperature for n = 0-4. Vibrationally resolved photoelectron spectra are obtained for N(CN)(2)(-), allowing the electron affinity of the N(CN)2 radical...
Halogen bonds have received a great deal of attention in recent years. Their properties, sometimes paralleled with those of hydrogen bonds, have not yet been fully understood. In this work, we investigate the nature of the intermolecular interactions between Cl(2) and Br(2) with water. Our analysis of several features of MP2/aug-cc-pVDZ-optimized stable clusters with different number and arrang...
The microsolvation of LiBO2 in water was investigated by conducting anion photoelectron spectroscopy and ab initio studies on the LiBO2(H2O)n(-) (n = 0-5) clusters. By comparing calculations with experiments, the structures of these clusters and their corresponding neutrals were assigned, and their structural evolutions were revealed. During the anionic structural evolution with n increasing to...
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