The chemical modification of polystyrene through the deposition of a beam of polyatomic fluorocarbon ions (C3F5 and CF3) at experimental fluences is studied using classical molecular dynamics simulations with many-body empirical potentials. To facilitate these simulations, a new C-H-F potential is developed on the basis of the second-generation reactive empirical bond-order potential for hydroc...

Sensory and chemical analyses were performed on accessions of rocket (Eruca sativa) to determine phytochemical influences on sensory attributes. A trained panel was used to evaluate leaves, and chemical data were obtained for polyatomic ions, amino acids, sugars and organic acids. These chemical data (and data of glucosinolates, flavonols and headspace volatiles previously reported) were used i...

the virial coefficients can be obtained from statistical mechanics in connection with the intermolecular potentials. the intermolecular potential of polyatomic molecules is usually assumed to consist of a spherically symmetric component plus a contribution due to asphericaity of the molecular charge distribution. in this study, the second virial coefficients have been calculated for n2, co and ...

This article presents an overview of current understanding of the interaction of low-energy positrons with molecules with emphasis on resonances, positron attachment, and annihilation. Measurements of annihilation rates resolved as a function of positron energy reveal the presence of vibrational Feshbach resonances VFRs for many polyatomic molecules. These resonances lead to strong enhancement ...

The physical nature of the fluorescence depletion (FD) effect and the possible way of its experimental study are discussed. The FD effect is used for many years as an efficient time-domain method of rotational spectroscopy for large polyatomic molecules [1-3]. In this method, the picosecond laser pulse is split into the pump and the probe pulses, which are focused at the molecular jet. Time and...