University of Naples Federico II

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Observation of a new particle in the search for the Standard Model Higgs boson with the ATLAS detector at the LHC

Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model

A new implementation of the conductor-like screening solvation model (COSMO) in the GAUSSIAN94 package is presented. It allows Hartree−Fock (HF), density functional (DF) and pos...

Oxidative stress, aging, and diseases

Reactive oxygen and nitrogen species (RONS) are produced by several endogenous and exogenous processes, and their negative effects are neutralized by antioxidant defenses. Oxida...

Ab initio study of solvated molecules: a new implementation of the polarizable continuum model

Friedreich's Ataxia: Autosomal Recessive Disease Caused by an Intronic GAA Triplet Repeat Expansion

Friedreich's ataxia (FRDA) is an autosomal recessive, degenerative disease that involves the central and peripheral nervous systems and the heart. A gene, X25 , was identified i...

A new definition of cavities for the computation of solvation free energies by the polarizable continuum model

A set of rules for determining the atomic radii of spheres used to build the molecular cavities in continuum solvation models are presented. The procedure is applied to compute ...

An anomalous positron abundance in cosmic rays with energies 1.5–100 GeV

Diagnostic criteria and classification of mastocytosis: a consensus proposal

Solar fusion cross sections. II. The<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>p</mml:mi><mml:mi>p</mml:mi></mml:math>chain and CNO cycles

The available data on nuclear fusion cross sections important to energy generation in the Sun and other hydrogen-burning stars and to solar neutrino production are summarized an...