Search Results - "Pirani, F"

Recent Trends in Individual and Multivariate Compound Flood Drivers in Canada's Coasts by Jalili Pirani, F., Najafi, M. R.

“…Over half of the global population and the majority of the cities in coastal zones are at risk of coastal flooding. Changes in the occurrence of individual…”
Get full text

Modeling Coronene Nanostructures: Analytical Potential, Stable Configurations and Ab Initio Energies by Bartolomei, M, Pirani, F, Marques, J. M. C

“…Coronene is one of the basic polycyclic aromatic hydrocarbons (PAHs) used to test the reliabilty of a multidimensional potential energy surface (PES) and to…”
Get full text

SARS-CoV-2 identification in lungs, heart and kidney specimens by transmission and scanning electron microscopy by Pesaresi, M, Pirani, F, Tagliabracci, A, Valsecchi, M, Procopio, A D, Busardò, F P, Graciotti, L

“…From two COVID-19-related deaths, samples of lung, heart and kidney were collected and processed for Transmission and Scanning Electron Microscopy (TEM and…”
Get more information

Substance abuse in times of COVID-19 pandemic: a "perfect storm" for substance use disorder and mental health? by Pirani, F, Del Rio, A

“…Our lives and communities have been besieged by COVID-19 for almost two years, and society and its functioning have been turned upside down and upset, through…”
Get more information

Low-energy structures of benzene clusters with a novel accurate potential surface by Bartolomei, M., Pirani, F., Marques, J. M. C.

“…The benzene‐benzene (Bz‐Bz) interaction is present in several chemical systems and it is known to be crucial in understanding the specificity of important…”
Get full text

Hair determination of per- and polyfluoroalkyl substances (PFAS) in the Italian population by Piva, E., Giorgetti, A., Ioime, P., Morini, L., Freni, F., Faro, F. Lo, Pirani, F., Montisci, M., Fais, P., Pascali, J.P.

“…•The presence of twenty PFAS was investigated by LC-QTOF in the hair of 86 subjects from four Italian regions.•66.4 % of the analyzed population had…”
Get full text

Efficiency of Collisional O2 + N2 Vibrational Energy Exchange by Garcia, E, Kurnosov, A, Laganà, A, Pirani, F, Bartolomei, M, Cacciatore, M

“…By following the scheme of the Grid Empowered Molecular Simulator (GEMS), a new O2 + N2 intermolecular potential, built on ab initio calculations and…”
Get full text

Molecular Dynamics Simulations of Small Clusters and Liquid Hydrogen Sulfide at Different Thermodynamic Conditions by Albertí, M, Amat, A, Aguilar, A, Pirani, F

“…A new force field for the intermolecular H2S–H2S interaction has been used to study the most relevant properties of the hydrogen sulfide system from gaseous to…”
Get full text

Is the issue of Chemsex changing? by Pirani, F, Lo Faro, A F, Tini, A

“…In this letter, which is meant as a response to the letter titled "Sex enhancers: challenges, threats and the need for targeted measures", the Authors discuss…”
Get more information

Closer versus Long Range Interaction Effects on the Non-Arrhenius Behavior of Quasi-Resonant O 2 + N 2 Collisions by Kurnosov, A, Cacciatore, M, Pirani, F, Laganà, A, Martí, C, Garcia, E

“…We report in this paper an investigation on energy transfer processes from vibration to vibration and/or translation in thermal and subthermal regimes for the…”
Get full text

Benzene water interaction: From gaseous dimers to solvated aggregates by Albertí, M., Faginas Lago, N., Pirani, F.

“…Isosurface (isovalue=0.67) plot of water probability density surrounding the benzene molecule. [Display omitted] ► We implemented a intermolecular potential to…”
Get full text

Ar Solvation Shells in K+–HFBz: From Cluster Rearrangement to Solvation Dynamics by Albertí, M, Lago, N. Faginas, Pirani, F

“…The effect of some leading intermolecular interaction components on specific features of weakly bound clusters involving an aromatic molecule, a closed shell…”
Get full text

Atom–bond pairwise additive representation for intermolecular potential energy surfaces by Pirani, F., Albertı́, M., Castro, A., Moix Teixidor, M., Cappelletti, D.

“…A method has been developed to describe the force field of atomic species interacting with hydrocarbon molecules, either aliphatic or aromatic, of use for…”
Get full text

Closer versus Long Range Interaction Effects on the Non-Arrhenius Behavior of Quasi-Resonant O2 + N2 Collisions by Kurnosov, A, Cacciatore, M, Pirani, F, Laganà, A, Martí, C, Garcia, E

“…We report in this paper an investigation on energy transfer processes from vibration to vibration and/or translation in thermal and subthermal regimes for the…”
Get full text

Enhanced Flexibility of the O2 + N2 Interaction and Its Effect on Collisional Vibrational Energy Exchange by Garcia, E, Laganà, A, Pirani, F, Bartolomei, M, Cacciatore, M, Kurnosov, A

“…Prompted by a comparison of measured and computed rate coefficients of Vibration-to-Vibration and Vibration-to-Translation energy transfer in O2 + N2…”
Get full text

A Model Potential for Acetonitrile: from Small Clusters to Liquid by Albertí, M, Amat, A, De Angelis, F, Pirani, F

“…A portable model potential, representing the intermolecular interaction of acetonitrile with itself and with ions, is proposed. Such model, formulated as a…”
Get full text

A global optimization perspective on molecular clusters by Marques, J. M. C., Pereira, F. B., Llanio-Trujillo, J. L., Abreu, P. E., Albertí, M., Aguilar, A., Pirani, F., Bartolomei, M.

“…Although there is a long history behind the idea of chemical structure, this is a key concept that continues to challenge chemists. Chemical structure is…”
Get full text

Benzene–Hydrogen Bond (C6H6–HX) Interactions: The Influence of the X Nature on their Strength and Anisotropy by Albertí, M, Aguilar, A, Huarte-Larrañaga, F, Lucas, J. M, Pirani, F

“…The intermolecular potential energy of the C6H6–SH2 and C6H6–NH3 dimers is formulated as combination of independent electrostatic and nonelectrostatic…”
Get full text

Determination of nine new fentanyl analogues and metabolites in consumers' urine by ultra-high-performance liquid chromatography-tandem mass spectrometry by Mannocchi, G, Pirani, F, Gottardi, M, Sirignano, A, Busardò, F P, Ricci, G

“…New fentanyl analogues have been constantly emerging into the illegal drug market as cheap substitutes of heroin posing a serious health threat for consumers…”
Get more information

Carbon Dioxide Clathrate Hydrates: Selective Role of Intermolecular Interactions and Action of the SDS Catalyst by Albertí, M, Pirani, F, Laganà, A

“…The ability of a single sodium dodecyl sulfate (SDS) molecule to promote the formation of CO2 clathrate hydrates in water (as it does for methane) has been…”
Get full text