Zobrazeno 1 - 10
of 15
pro vyhledávání: '"Giorgia Ceselin"'
Publikováno v:
Frontiers in Chemistry, Vol 8 (2020)
Accuracy and interpretability are often seen as the devil and holy grail in computational spectroscopy and their reconciliation remains a primary research goal. In the last few decades, density functional theory has revolutionized the situation, pavi
Externí odkaz:
https://doaj.org/article/95eaa501efe742578ac7a79a1b4dba27
Publikováno v:
Molecules, Vol 27, Iss 3, p 748 (2022)
In the last decade, halogenated ethenes have seen an increasing interest for different applications; in particular, in refrigeration, air-conditioning and heat pumping. At the same time, their adverse effects as atmospheric pollutants require environ
Externí odkaz:
https://doaj.org/article/a098852e9361436faf895d9edc78a21b
Publikováno v:
Journal of Chemical Theory and Computation
The determination of accurate equilibrium molecular structures plays a fundamental role for understanding many physical-chemical properties of molecules, ranging from the precise evaluation of the electronic structure to the analysis of the role play
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7ef4fb2263d24cb15cfdf24ac03b7fe5
https://doi.org/10.1021/acs.jctc.1c00788
https://doi.org/10.1021/acs.jctc.1c00788
Publikováno v:
The journal of physical chemistry. A. 126(15)
The first step to shed light on the abiotic synthesis of biochemical building blocks, and their further evolution toward biological systems, is the detection of the relevant species in astronomical environments, including earthlike planets. To this e
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::737c0df5e6d4a0f551c103261405e9b4
https://pubmed.ncbi.nlm.nih.gov/35384666
https://pubmed.ncbi.nlm.nih.gov/35384666
Very short-lived substances have recently been proposed as replacements for hydrofluorocarbons (HFCs), in turn being used in place of ozone-depleting substances, in refrigerant applications. In this respect, hydro-fluoro-olefins (HFOs) are attracting
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ea5ed7d1c30e631c6b988c34f44c781c
http://hdl.handle.net/10278/5004920
http://hdl.handle.net/10278/5004920
Publikováno v:
Molecules, Vol 27, Iss 748, p 748 (2022)
Molecules; Volume 27; Issue 3; Pages: 748
Molecules; Volume 27; Issue 3; Pages: 748
In the last decade, halogenated ethenes have seen an increasing interest for different applications; in particular, in refrigeration, air-conditioning and heat pumping. At the same time, their adverse effects as atmospheric pollutants require environ
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b79b47ad34bcee7d5060dc1825a7d727
https://pubmed.ncbi.nlm.nih.gov/35164013
https://pubmed.ncbi.nlm.nih.gov/35164013
Publikováno v:
Journal of Molecular Structure. 1208:127886
Quantum-chemical calculations assist the analysis of laboratory spectra, and often provide the only means to determine spectroscopic data that cannot be accessed experimentally. For the purpose, reliable predictions of structural and spectroscopic pa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7a50b62c3d1eaea25933b3e10d02d603
https://doi.org/10.1016/j.molstruc.2020.127886
https://doi.org/10.1016/j.molstruc.2020.127886
Difluoromethane (CH2F2,HFC-32) presents strong ro-vibrational bands within the 8–12 μm atmospheric window and hence it represents a greenhouse gas able of contributing to global warming. Numerous spectroscopic studies have been devoted to this mol
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::486f53c535ed481aa9b767d6837ad4fe
https://hdl.handle.net/11384/77442
https://hdl.handle.net/11384/77442
Among 200 molecules discovered up to now in the interstellar and circumstellar space, glycolaldehyde (GA) represents the smallest monosaccharide detected in those places. This detection comes with important clues about the origins of life in the Univ
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::eb832b35ce88cf4b1d21adbb8be251b0
http://hdl.handle.net/10278/3700154
http://hdl.handle.net/10278/3700154
Autor:
Nicola Tasinato, Giorgia Ceselin, Cristina Puzzarini, Santi Giorgianni, Paolo Stoppa, Andrea Pietropolli Charmet
The discovery of the Universe and of the interstellar medium (ISM) is based on the knowledge of the molecules that are present in those places. Most of our understanding about the composition of the ISM and planetary atmospheres has been made possibl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0a94a71ce591da08a60d986dd0f1a3c0
http://hdl.handle.net/10278/3687675
http://hdl.handle.net/10278/3687675