A full dimensional grid empowered simulation of the CO2 + CO2 processes

A 3D-analysis of cluster formation and dynamics of the X−-benzene (X = F, Cl, Br, I) ionic dimer solvated by Ar atoms

(2011) Margarita Albertí et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

GriF: A Grid framework for a Web Service approach to reactive scattering

(2010) C. Manuali et al.   COMPUTER PHYSICS COMMUNICATIONS

GriF: A new collaborative framework for a web service approach to grid empowered calculations

(2010) C. Manuali et al.   Future Generation Computer Systems-The International Journal of eScience

Long-range interaction for dimers of atmospheric interest: dispersion, induction and electrostatic contributions for O2O2, N2N2 and O2N2

(2010) Massimiliano Bartolomei et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

COMPCHEM: Progress Towards GEMS a Grid Empowered Molecular Simulator and Beyond

(2010) Antonio Laganà et al.   Journal of Grid Computing

Transport properties of high-temperature Jupiter atmosphere components

(2010) D. Bruno et al.   PHYSICS OF PLASMAS

Additive and nonadditive models of vapor-liquid equilibrium in CO2 from first principles

(2009) Mark T. Oakley et al.   JOURNAL OF CHEMICAL PHYSICS

A detailed comparison of centrifugal sudden and J-shift estimates of the reactive properties of the N + N2 reaction

(2009) Ernesto Garcia et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Coping with the anisotropy in the analytical representation of an ab initio potential energy surface for the Cl2 dimer

(2009) M. H. Karimi-Jafari et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The intermolecular potential in NO–N2 and (NO–N2)+ systems: implications for the neutralization of ionic molecular aggregates

(2008) Massimiliano Bartolomei et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A bond–bond description of the intermolecular interaction energy: the case of weakly bound N2–H2 and N2–N2 complexes

(2008) D. Cappelletti et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Beyond the Lennard-Jones model: a simple and accurate potential function probed by high resolution scattering data useful for molecular dynamics simulations

(2008) Fernando Pirani et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A comparison of interatomic potentials for rare gas nanoaggregates

(2007) Andrea Lombardi et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM