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Tasinato, Nicola, Pietropolli Charmet, Andrea, Stoppa, Paolo, Giorgianni, Santi, Gambi, Alberto (2012) Quantum-chemical ab initio investigation of the vibrational spectrum of halon 1113 and its anharmonic force field: A joint experimental and computational approach. Chemical Physics, 397. 55-64 doi:10.1016/j.chemphys.2011.12.015

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Reference TypeJournal (article/letter/editorial)
TitleQuantum-chemical ab initio investigation of the vibrational spectrum of halon 1113 and its anharmonic force field: A joint experimental and computational approach
JournalChemical Physics
AuthorsTasinato, NicolaAuthor
Pietropolli Charmet, AndreaAuthor
Stoppa, PaoloAuthor
Giorgianni, SantiAuthor
Gambi, AlbertoAuthor
Year2012 (March)Volume397
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2011.12.015Search in ResearchGate
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Mindat Ref. ID5962882Long-form Identifiermindat:1:5:5962882:6
GUID0
Full ReferenceTasinato, Nicola, Pietropolli Charmet, Andrea, Stoppa, Paolo, Giorgianni, Santi, Gambi, Alberto (2012) Quantum-chemical ab initio investigation of the vibrational spectrum of halon 1113 and its anharmonic force field: A joint experimental and computational approach. Chemical Physics, 397. 55-64 doi:10.1016/j.chemphys.2011.12.015
Plain TextTasinato, Nicola, Pietropolli Charmet, Andrea, Stoppa, Paolo, Giorgianni, Santi, Gambi, Alberto (2012) Quantum-chemical ab initio investigation of the vibrational spectrum of halon 1113 and its anharmonic force field: A joint experimental and computational approach. Chemical Physics, 397. 55-64 doi:10.1016/j.chemphys.2011.12.015
In(n.d.) Chemical Physics Vol. 397. Elsevier BV

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Pietropolli Charmet, Andrea, Stoppa, Paolo, Tasinato, Nicola, Giorgianni, Santi, Gambi, Alberto (2016) Study of the Vibrational Spectra and Absorption Cross Sections of 1-Chloro-1-fluoroethene by a Joint Experimental and Ab Initio Approach. The Journal of Physical Chemistry A, 120 (42). 8369-8386 doi:10.1021/acs.jpca.6b07426
Stoppa, Paolo, Charmet, Andrea Pietropolli, Tasinato, Nicola, Giorgianni, Santi, Gambi, Alberto (2009) Infrared Spectra, Integrated Band Intensities, and Anharmonic Force Field of H2C=CHF. The Journal of Physical Chemistry A, 113 (8). 1497-1504 doi:10.1021/jp808556e
Charmet, Andrea Pietropolli, Tasinato, Nicola, Stoppa, Paolo, Giorgianni, Santi, Gambi, Alberto (2011) Anharmonic resonances in the CH chromophore overtone spectra of CHBrF2. Molecular Physics, 109. 2163-2172 doi:10.1080/00268976.2011.609138
Charmet, Andrea Pietropolli, Stoppa, Paolo, Tasinato, Nicola, Baldan, Alessandro, Giorgianni, Santi, Gambi, Alberto (2010) Spectroscopic study of CHBrF2 up to 9500 cm−1: Vibrational analysis, integrated band intensities, and ab initio calculations. The Journal of Chemical Physics, 133 (4). 44310pp. doi:10.1063/1.3460922
Tasinato, Nicola, Regini, Giorgia, Stoppa, Paolo, Charmet, Andrea Pietropolli, Gambi, Alberto (2012) Anharmonic force field and vibrational dynamics of CH2F2 up to 5000 cm−1 studied by Fourier transform infrared spectroscopy and state-of-the-art ab initio calculations. The Journal of Chemical Physics, 136 (21). 214302pp. doi:10.1063/1.4720502
Charmet, Andrea Pietropolli, Stoppa, Paolo, Tasinato, Nicola, Giorgianni, Santi, Barone, Vincenzo, Biczysko, Malgorzata, Bloino, Julien, Cappelli, Chiara, Carnimeo, Ivan, Puzzarini, Cristina (2013) An integrated experimental and quantum-chemical investigation on the vibrational spectra of chlorofluoromethane. The Journal of Chemical Physics, 139 (16). 164302pp. doi:10.1063/1.4825380
Scaranto, Jessica, Moro, Daniele, Tasinato, Nicola, Stoppa, Paolo, Charmet, Andrea Pietropolli, Giorgianni, Santi (2013) Investigation of CHBrF2 adsorbed on TiO2 through IR spectroscopy and DFT calculations. Vibrational Spectroscopy, 65. 142-146 doi:10.1016/j.vibspec.2012.12.005
Pietropolli Charmet, Andrea, Stoppa, Paolo, Giorgianni, Santi, Bloino, Julien, Tasinato, Nicola, Carnimeo, Ivan, Biczysko, Malgorzata, Puzzarini, Cristina (2017) Accurate Vibrational–Rotational Parameters and Infrared Intensities of 1-Bromo-1-fluoroethene: A Joint Experimental Analysis and Ab Initio Study. The Journal of Physical Chemistry A, 121 (17). 3305-3317 doi:10.1021/acs.jpca.7b02060
Tasinato, Nicola, Moro, Daniele, Stoppa, Paolo, Pietropolli Charmet, Andrea, Toninello, Piero, Giorgianni, Santi (2015) Adsorption of F2CCFCl on TiO2 nano-powder: Structures, energetics and vibrational properties from DRIFT spectroscopy and periodic quantum chemical calculations. Applied Surface Science, 353. 986-994 doi:10.1016/j.apsusc.2015.07.006
Stoppa, Paolo, Charmet, A. Pietropolli, Giorgianni, Santi, Ghersetti, Sergio, Gambi, Alberto (2003) Tunable Diode Laser Spectroscopy ofcis-1,2-Difluoroethylene:  Rovibrational Analysis of the ν9and ν5+ν10Bands and Anharmonic Force Field. The Journal of Physical Chemistry A, 107 (4). 474-479 doi:10.1021/jp0218488
Tasinato, Nicola, Stoppa, Paolo, Pietropolli Charmet, A., Giorgianni, Santi, Gambi, Alberto (2006) High-Resolution Infrared Study of Vinyl Fluoride in the 750−1050 cm-1Region:  Rovibrational Analysis and Resonances Involving the ν8, ν10, and ν11Fundamentals. The Journal of Physical Chemistry A, 110 (50). 13412-13418 doi:10.1021/jp064013w
 
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