We introduce and investigate a chemical model based on perturbative corrections to the product of singlet-type strongly orthogonal geminals wave function. Two specific points are addressed (i) Overall chemical accuracy of such a model with perturbative corrections at a leading order; (ii) Quality of strong orthogonality approximation of geminals in diverse chemical systems. We use the Epstein-N...

High molecular weight compounds in urban atmospheric particles V. Samburova et al. High molecular weight compounds in urban atmospheric particles V. Samburova et al. Abstract The chemical nature of a large fraction of ambient organic aerosol particles is not known. However, high molecular weight compounds (often named humic-like substances) have recently been detected by several authors and the...

Emissions of resuspensed particles from paved roads (RPR) have received an increasing attention in air quality modeling, since chemistry transport models are generally unable to reproduce particulate levels near road traffic. However, among the models operated in the forecasting mode in Europe, there is a lack of systems including the contribution of RPR on an hourly basis. Therefore, this cont...

What the future holds for the stellar populations of the Milky Way Galaxy may (optimistically) be predicted by study of their past histories, as written in the chemical abundance distributions, angular momentum distributions, velocity dispersion tensor, ages and spatial structure of their constituent older stars.

Experimental Approach for the Validation of Odour Dispersion Modelling Laura Capelli*, Licinia Dentoni, Selena Sironi, Jean-Michel Guillot Politecnico di Milano, Department of Chemistry, Materials and Chemical Engineering “Giulio Natta”, Piazza Leonardo da Vinci 32, 20133 Milano, Italy Ecole des Mines d’Alès, Laboratoire Génie de l’Environment Industriel, 6 Av. de Clavières, F-30319 Ales Cedex,...

A facile carbon radical reaction procedure and a chemical reduction method were proposed to synthesize Ag nanoparticles on functionalized graphene with uniform, high dispersion and excellent stability. The resultant material showed excellent electrocatalytic activity to nitroaromatic compounds and high sensitivity to the detection of nitroaromatic compounds.

We introduce a procedure to determine the structures of proteins by incorporating NMR chemical shifts as structural restraints in molecular dynamics simulations. In this approach, the chemical shifts are expressed as differentiable functions of the atomic coordinates and used to compute forces to generate trajectories that lead to the reduction of the differences between experimental and calcul...

We show that the unique absorption and dispersion properties of the electromagnetically induced transparency can be used effectively to relax the conditions for observing the cavity ringdown effect (CRE), which can be useful in applications of CRE in ultrasensitive detection of chemical species. A more straightforward and simple method is used to model the interesting CRE.