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Quasiclassical trajectory studies have been performed for the reaction between an H ~or D! atom incident from the gas phase and a H ~or D! atom adsorbed onto a Cu~111! surface. Results from a density functional calculation of the interaction between H and a Cu~111! surface are used to construct a detailed potential energy surface which contains all six nuclear degrees of freedom. Impacts of the...

We present ‘BYTe’, a comprehensive ‘hot’ line list for the ro-vibrational transitions of ammonia, NH3, in its ground electronic state. This line list has been computed variationally using the program suite TROVE, a new spectroscopically determined potential energy surface and an ab initio dipole moment surface. BYTe, is designed to be used at all temperatures up to 1500 K. It comprises 1138 323...

background: radiation-induced molecular changes on the endothelial surface of brain arteriovenous malformations (avm) may be used as markers for specific vascular targeting agents. in this study, we examined the level of expression of platelet endothelial cell adhesion molecule-1 (pecam-1) on brain endothelial cell surface after radiation treatment, with the aim of targeting the radiation-induc...

surface-enhanced raman spectroscopy (sers) is a promising tool in the analytical science because it provides good selectivity and sensitivity without the labeling process required by fluorescence detection. this technique consists of locating the target analyte on nanometer range of roughed au-nanoparticles. the presence of the metal nanoparticles provides a tremendous enhancement to the result...