20 citations · 48 across the 9 of their papers we have counts for
4 papers · 1 filter
Coding Cross Sections of an Electron Charge Transfer Process
Emília Valença Ferreira de Aragão, Luca Mancini, Xiao He +4
The paper presents the algorithm of a code written for computing the cross section for a charge transfer process involving a neutral molecule and a monatomic ion. The entrance and…
The S(S) + SiH(A) Reaction: Toward the Synthesis of Interstellar SiS
Luca Mancini, Marco Trinari, Emília Valença Ferreira de Aragão +2
We have performed a theoretical investigation of the S(S) + SiH(A) reaction, a possible formation route of the HSiS and SiSH cations that are alleged…
Long-Range Complex in the HC3N + CN Potential Energy Surface: Ab Initio Calculations and Intermolecular Potential
Emília Valença Ferreira de Aragão, Luca Mancini, Noelia Faginas-Lago +3
In this work we characterize an initial van der Waals adduct in the potential energy surface of reaction between cyanoacetylene HC3N and the cyano radical. The geometry of the CN-H…
A computational analysis of the reaction of atomic oxygen O(3P) with acrylonitrile
Luca Mancini, Emília Valença Ferreira de Aragão
The work is focused on the characterization of a long-range interacting complex in the reaction between atomic oxygen, in its ground state O(3P) and acrylonitrile CH2CHCN, also kno…