15 citations · 24 across the 2 of their papers we have counts for
4 papers
A Quantum Chemical Approach for the Characterization of the Interaction Potential of Propylene Oxide with Rare-Gas Atoms (He, Ne, Ar)
Patricia R. P. Barreto, Ana Claudia P. S. Cruz, Henrique O. Euclides +3
Propylene oxide is one of the simplest organic chiral molecules and has attracted considerable interest from the scientific community a few years ago, when it was discovered in the…
Spherical and hyperspherical harmonics representation of van der Waals aggregates
Andrea Lombardi, Federico Palazzetti, Vincenzo Aquilanti +4
The representation of the potential energy surfaces of atom molecule or molecular dimers interactions should account faithfully for the symmetry properties of the systems, preservi…
The spherical-harmonics representation for the interaction between diatomic molecules: the general case and applications to CO-CO and CO-HF
Patricia R. P. Barreto, Ana Claudia P. S. Cruz, Rodrigo L. P. Barreto +5
The spherical-harmonics expansion is a mathematically rigorous procedure and a powerful tool for the representation of potential energy surfaces of interacting molecular systems, d…
Interactions of Hydrogen Molecules with Halogen-Containing Diatomics from Ab Initio Calculations: Spherical-Harmonics Representation and Characterization of the Intermolecular Potentials
Alessandra F. Albernaz, Vincenzo Aquilanti, Patricia R. P. Barreto +5
For the prototypical diatomic-molecule - diatomic molecule interactions H2-HX and H2-X2, where X = F, Cl, Br, quantum-chemical ab initio calculations are carried out on grids of th…