Zobrazeno 1 - 10
of 104
pro vyhledávání: '"Noelia Faginas-Lago"'
Autor:
Gyeongjin Park, Evans C. Wralstad, Noelia Faginas-Lago, Kevin Qian, Ronald T. Raines, Giovanni Bistoni, Christopher C. Cummins
Publikováno v:
ACS Central Science, Vol 10, Iss 7, Pp 1415-1422 (2024)
Externí odkaz:
https://doaj.org/article/635fc8b70d6b4113a3516ff08f246700
Autor:
Yusuf Bramastya Apriliyanto, Noelia Faginas-Lago, Stefano Evangelisti, Massimiliano Bartolomei, Thierry Leininger, Fernando Pirani, Leonardo Pacifici, Andrea Lombardi
Publikováno v:
Molecules, Vol 27, Iss 18, p 5958 (2022)
The ability to remove carbon dioxide from gaseous mixtures is a necessary step toward the reduction of greenhouse gas emissions. As a contribution to this field of research, we performed a molecular dynamics study assessing the separation and adsorpt
Externí odkaz:
https://doaj.org/article/5f52d07c06f94bf7b46d96b5530a76b9
Autor:
Emília Valença Ferreira de Aragão, Luca Mancini, Noelia Faginas-Lago, Marzio Rosi, Dimitrios Skouteris, Fernando Pirani
Publikováno v:
Molecules, Vol 27, Iss 7, p 2297 (2022)
The reaction between the cyano radical CN and cyanoacetylene molecule HC3N is of great interest in different astronomical fields, from star-forming regions to planetary atmospheres. In this work, we present a new synergistic theoretical approach for
Externí odkaz:
https://doaj.org/article/065e8657b1a1420ead94d3b3378ceb05
Autor:
Jelle Vekeman, Daniel Bahamon, Inmaculada García Cuesta, Noelia Faginas-Lago, José Sánchez-Marín, Alfredo Sánchez de Merás, Lourdes F. Vega
Publikováno v:
Nanomaterials, Vol 11, Iss 10, p 2534 (2021)
The adsorption—for separation, storage and transportation—of methane, hydrogen and their mixture is important for a sustainable energy consumption in present-day society. Graphene derivatives have proven to be very promising for such an applicati
Externí odkaz:
https://doaj.org/article/f0812cf2ebc14311bd4cfd966abe0436
Autor:
Jelle Vekeman, Noelia Faginas-Lago, Andrea Lombardi, Alfredo Sánchez de Merás, Inmaculada García Cuesta, Marzio Rosi
Publikováno v:
Frontiers in Chemistry, Vol 7 (2019)
We theoretically investigate graphene layers, proposing them as membranes of subnanometer size suitable for CH4/N2 separation and gas uptake. The observed potential energy surfaces, representing the intermolecular interactions within the CH4/N2 gaseo
Externí odkaz:
https://doaj.org/article/98bed371465b49578d6bf11f85e4439b
Autor:
Pengxiao Liang, Emilia V. F. de Aragão, Giacomo Pannacci, Gianmarco Vanuzzo, Andrea Giustini, Demian Marchione, Pedro Recio, Francesco Ferlin, Domenico Stranges, Noelia Faginas Lago, Marzio Rosi, Piergiorgio Casavecchia, Nadia Balucani
Publikováno v:
The Journal of Physical Chemistry A. 127:685-703
Autor:
Jelle Vekeman, Inmaculada García Cuesta, Noelia Faginas-Lago, José Sánchez-Marín, Alfredo M. J. Sánchez de Merás
Publikováno v:
JOURNAL OF CHEMICAL PHYSICS
From coupled-cluster singles and doubles model including connected triples corrections [CCSD(T)] calculations on the water dimer and B97D/CC on the water-circumcoronene complex at a large number of randomly generated conformations, interaction potent
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6d5c31e0704891ce8902412d80bfcf97
https://hdl.handle.net/11391/1539535
https://hdl.handle.net/11391/1539535
Autor:
Pengxiao Liang, Emília Valença Ferreira de Aragão, Lisa Giani, Luca Mancini, Giacomo Pannacci, Demian Marchione, Gianmarco Vanuzzo, Noelia Faginas-Lago, Marzio Rosi, Dimitrios Skouteris, Piergiorgio Casavecchia, Nadia Balucani
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e133421d2ec85cd13fd14009488ed4df
https://hdl.handle.net/11391/1549536
https://hdl.handle.net/11391/1549536
Autor:
Vincent Richardson, Emília Valença Ferreira de Aragão, Xiao He, Fernando Pirani, Luca Mancini, Noelia Faginas-Lago, Marzio Rosi, Luca Matteo Martini, Daniela Ascenzi
Publikováno v:
Physical Chemistry Chemical Physics. 24:22437-22452
A combined experimental and theoretical study demonstrates the presence of stereodynamical effects in the charge exchange reactivity of He˙+ with CH3OH, a key process in the astrochemistry of methanol.
Autor:
Concetta Caglioti, Antonella De Luca, Chiara Pennetta, Lorenzo Monarca, Francesco Ragonese, Paola Sabbatini, Maria Noelia Faginas Lago, Andrea Lombardi, Federico Palazzetti, Bernard Fioretti
Publikováno v:
Computational Science and Its Applications – ICCSA 2022 Workshops ISBN: 9783031105913
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5878509c7490f8560e68b5392e97200c
http://hdl.handle.net/11391/1531678
http://hdl.handle.net/11391/1531678