Zobrazeno 1 - 10
of 2 989
pro vyhledávání: '"Barone, Vincenzo"'
The isomerization of hydrogen cyanide to hydrogen isocyanide on icy grain surfaces is investigated by an accurate composite method (jun-Cheap) rooted in the coupled cluster ansatz and by density functional approaches. After benchmarking density funct
Externí odkaz:
http://arxiv.org/abs/2204.04642
Autor:
Rivilla, Víctor M., Colzi, Laura, Jiménez-Serra, Izaskun, Martín-Pintado, Jesús, Megías, Andrés, Melosso, Mattia, Bizzocchi, Luca, López-Gallifa, Álvaro, Martínez-Henares, Antonio, Massalkhi, Sarah, Tercero, Belén, de Vicente, Pablo, Guillemin, Jean-Claude, de la Concepción, Juan García, Rico-Villas, Fernando, Zeng, Shaoshan, Martín, Sergio, Requena-Torres, Miguel A., Tonolo, Francesca, Alessandrini, Silvia, Dore, Luca, Barone, Vincenzo, Puzzarini, Cristina
We present the first detection of ($Z$)-1,2-ethenediol, (CHOH)$_2$, the enol form of glycolaldehyde, in the interstellar medium towards the G+0.693-0.027 molecular cloud located in the Galactic Center. We have derived a column density of (1.8$\pm$0.1
Externí odkaz:
http://arxiv.org/abs/2203.14728
Autor:
Barone, Vincenzo, Scirocco, Laura, Surico, Pier Luigi, Micera, Alessandra, Cutrupi, Francesco, Coassin, Marco, Di Zazzo, Antonio
Publikováno v:
In Experimental Eye Research August 2024 245
Autor:
Uribe, Lina, Lazzari, Federico, Di Grande, Silvia, Crisci, Luigi, Mendolicchio, Marco, Barone, Vincenzo
Publikováno v:
Journal of Chemical Physics; 7/7/2024, Vol. 161 Issue 1, p1-20, 20p
A recently developed model chemistry (denoted as junChS [Alessandrini et al J. Chem. Theory Comput. 2020, 16, 988-1006]) has been extended to the employment of explicitly-correlated (F12) methods. This led us to propose a family of effective, reliabl
Externí odkaz:
http://arxiv.org/abs/2110.03075
Autor:
de la Concepción, Juan García, Puzzarini, Cristina, Barone, Vincenzo, Jiménez-Serra, Izaskun, Roncero, Octavio
In recent years, phosphorus monoxide (PO) -- an important molecule for prebiotic chemistry -- has been detected in star-forming regions and in the comet 67P/Churyumov-Gerasimenko. These studies have revealed that, in the interstellar medium, PO is sy
Externí odkaz:
http://arxiv.org/abs/2108.08530
A recently developed model chemistry (jun-Cheap) has been slightly modified and proposed as an effective, reliable and parameter-free scheme for the computation of accurate reaction rates with special reference to astrochemical and atmospheric proces
Externí odkaz:
http://arxiv.org/abs/2106.12999
A gas-phase formation route is proposed for the recently detected propargylimine molecule. In analogy to other imines, such as cyanomethanimine, the addition of a reactive radical (C$_2$H in the present case) to methanimine (CH$_2$NH}) leads to react
Externí odkaz:
http://arxiv.org/abs/2010.11651
Publikováno v:
Molecules 2020, 25, 2873
The gas-phase formation and spectroscopic characteristics of ethanimine have been re-investigated as a paradigmatic case illustrating the accuracy of state-of-the-art quantum-chemical (QC) methodologies in the field of astrochemistry. According to ou
Externí odkaz:
http://arxiv.org/abs/2008.00296