Spectroscopic measurement of the rate of the gas-phase combination of methyl radicals with nitric oxide and oxygen at 295.deg.K
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Thermodynamic modeling is a versatile tool for predicting the chemical composition cement during the hydration of cement. The quality of the thermodynamic modeling depends directly on the quality and completeness of thermodynamic database used. One of the ...
Gas-phase techniques are promising for studying intrinsically disordered peptides and proteins, as they can be implemented in a conformer-selective way. One of the issues that prevent them from finding a broader use is the question of to which extent the s ...
Understanding the relation between the gas-phase structure of biological molecules and their solution-phase structure is important when attempting to use gas-phase techniques to address biologically relevant questions. Directly after electrospray ionizatio ...
We present in this work experiments that push the limits of cold ion spectroscopy to the study of complex peptides and small proteins in the gas phase. Although the low temperature attainable in a cold ion trap greatly simplifies the electronic spectra of ...
We propose a new approach for the direct estimation of the unwrapped phase from a single closed fringe pattern. The fringe analysis is performed along a given row/column at a time by approximating the phase with a weighted linear combination of linearly in ...
Excitation spectra of the and transitions of aniline cations embedded in helium nanodroplets are reported. The spectra are characterized by broad asymmetric resonances that consist of an intrinsically broadened zero-phonon line which partially overlaps wit ...
The accurate and unambiguous detection of post-translational modifications in proteins and peptides remains a challenging task. We report here the use of cold ion spectroscopy for the identification of phosphorylated tyrosine residues in peptides. This app ...
An integrated computational approach built on quantum mechanical (QM) methods, purposely tailored inter-and intra-molecular force fields and continuum solvent models combined with time-independent and timedependent schemes to account for nuclear motion eff ...
Raman and optical absorption spectra of FeTe2O5Cl at pressures (P) up to 5.9 GPa were measured in order to identify the point of pressure-induced structural phase transition and to compare the vibrational and optical properties of FeTe2O5Cl to those of FeT ...
A novel method is proposed for the direct and simultaneous estimation of multiple phase derivatives corresponding to strain and slope fields from a single moiré fringe pattern in digital holographic moiré. The interference field in a given row/column is a ...
