Zobrazeno 1 - 10
of 179
pro vyhledávání: '"Mancini, Luca"'
Autor:
Mancini, Luca, de Aragão, Emília Valença Ferreira, Pirani, Fernando, Rosi, Marzio, Faginas-Lago, Noelia, Richardson, Vincent, Martini, Luca Matteo, Podio, Linda, Lippi, Manuela, Codella, Claudio, Ascenzi, Daniela
Publikováno v:
A&A 691, A83 (2024)
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 be considered a key species to explore the chemical connections betwee
Externí odkaz:
http://arxiv.org/abs/2407.19080
Autor:
Giani, Lisa, Ceccarelli, Cecilia, Mancini, Luca, Bianchi, Eleonora, Pirani, Fernando, Rosi, Marzio, Balucani, Nadia
Methyl cyanide (CH$_3$CN) is one of the most abundant and widely spread interstellar complex organic molecules (iCOMs). Several studies found that, in hot corinos, methyl cyanide and methanol abundances are correlated suggesting a chemical link, ofte
Externí odkaz:
http://arxiv.org/abs/2309.12745
Autor:
de Aragão, Emília Valença Ferreira, Mancini, Luca, He, Xiao, Faginas-Lago, Noelia, Rosi, Marzio, Ascenzi, Daniela, Pirani, Fernando
Publikováno v:
ICCSA 2022. Lecture Notes in Computer Science, vol 13382, p. 319-333. Springer, Cham, 2022
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 exit potential energy surfaces, driving the collision dynamics, are co
Externí odkaz:
http://arxiv.org/abs/2212.11903
Autor:
Mancini, Luca, Trinari, Marco, de Aragão, Emília Valença Ferreira, Rosi, Marzio, Balucani, Nadia
Publikováno v:
ICCSA 2022. Lecture Notes in Computer Science, vol. 13378, p. 233-245. Springer, Cham., 2022
We have performed a theoretical investigation of the S$^+$($^4$S) + SiH$_{2}$($^1$A$_1$) reaction, a possible formation route of the HSiS$^+$ and SiSH$^+$ cations that are alleged to be precursors of interstellar silicon sulfide, SiS. Electronic stru
Externí odkaz:
http://arxiv.org/abs/2212.11754
Autor:
de Aragão, Emília Valença Ferreira, Mancini, Luca, Faginas-Lago, Noelia, Rosi, Marzio, Balucani, Nadia, Pirani, Fernando
Publikováno v:
ICCSA 2021. Lecture Notes in Computer Science, vol 12958. Springer, Cham., p. 413-425
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-HC3N adduct has been optimized through calculations employing ab initio
Externí odkaz:
http://arxiv.org/abs/2212.11312
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 known as vinyl cyanide or cyano ethylene, through electronic structure ca
Externí odkaz:
http://arxiv.org/abs/2212.10396
Autor:
de Aragão, Emília Valença Ferreira, Faginas-Lago, Noelia, Rosi, Marzio, Mancini, Luca, Balucani, Nadia, Skouteris, Dimitrios
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 minimum energy path. One channel, leading to C4N2 (2-Butynedinitrile) +
Externí odkaz:
http://arxiv.org/abs/2107.06003
Autor:
Mancini, Luca, Rosi, Marzio, Skouteris, Dimitrios, Vanuzzo, Gianmarco, Pannacci, Giacomo, Casavecchia, Piergiorgio, Balucani, Nadia
Publikováno v:
In Computational and Theoretical Chemistry November 2023 1229
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Akademický článek
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