20 citations · 48 across the 9 of their papers we have counts for
9 papers
Gas-phase formation routes of dimethyl sulfide in the interstellar medium
Gabriella Di Genova, Nadia Balucani, Luca Mancini +3
Context: Dimethyl sulfide (DMS; CHSCH) is an organosulfur compound that has been suggested as a potential biosignature in exoplanetary atmospheres. In addition to its tenta…
Destruction of interstellar methyl cyanide (CH3CN) via collisions with He+ ions
Luca Mancini, Emília Valença Ferreira de Aragão, Fernando Pirani +8
Methyl cyanide is one of the simplest interstellar complex organic molecules, widely detected in young solar analogues, shocked regions, protoplanetary disks and comets. CH3CN can…
Revised gas-phase formation network of methyl cyanide: the origin of methyl cyanide and methanol abundance correlation in hot corinos
Lisa Giani, Cecilia Ceccarelli, Luca Mancini +4
Methyl cyanide (CHCN) is one of the most abundant and widely spread interstellar complex organic molecules (iCOMs). Several studies found that, in hot corinos, methyl cyanide a…
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…
A Computational Study of the Reaction Cyanoacetylene and Cyano Radical leading to 2-Butynedinitrile and Hydrogen Radical
Emília Valença Ferreira de Aragão, Noelia Faginas-Lago, Marzio Rosi +3
The present work focuses on the characterization of the reaction between cyanoacetylene and cyano radical by electronic structure calculations of the stationary points along the mi…
Adiabatic and local approximations for the Kohn-Sham potential in time-dependent Hubbard chains
L. Mancini, J. D. Ramsden, M. J. P. Hodgson +1
We obtain the exact Kohn-Sham potentials of time-dependent density-functional theory for 1D Hubbard chains, driven by a d.c.\ external field, using the time-depen…