Modeling interstellar amorphous solid water grains by tight-binding based methods: comparison between GFN-XTB and CCSD(T) results for water clusters

Autor: Aurèle Germain, Piero Ugliengo

Publikováno v: Computational Science and Its Applications – ICCSA 2020 ISBN: 9783030588137
ICCSA (5)
Lecture Notes in Computer Science
Lecture Notes in Computer Science-Computational Science and Its Applications – ICCSA 2020
Computational Science and Its Applications – ICCSA 2020-20th International Conference, Cagliari, Italy, July 1–4, 2020, Proceedings, Part V
Computational Science and Its Applications – ICCSA 2020

One believed path to Interstellar Complexes Organic Molecules (iCOMs) formation inside the Interstellar Medium (ISM) is through chemical recombination at the surface of amorphous solid water (ASW) mantle covering the silicate-based core of the inters

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fe848692cc7c592ca5f699840cb60948
http://arxiv.org/abs/2009.11637