Pressure-induced mesoscopic disorder in protic ionic liquids: first computational study
Mariani, A, Caminiti, R, Campetella, M, Gontrani, L
Published in Physical chemistry chemical physics : PCCP (28.01.2016)
Published in Physical chemistry chemical physics : PCCP (28.01.2016)
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Journal Article
Effect of alkyl chain length in protic ionic liquids: an AIMD perspective
Campetella, M., Macchiagodena, M., Gontrani, L., Kirchner, B.
Published in Molecular physics (03.07.2017)
Published in Molecular physics (03.07.2017)
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Journal Article
Nanoscale organization in the fluorinated room temperature ionic liquid: Tetraethyl ammonium (trifluoromethanesulfonyl)(nonafluorobutylsulfonyl)imide
Lo Celso, F, Appetecchi, G B, Jafta, C J, Gontrani, L, Canongia Lopes, J N, Triolo, A, Russina, O
Published in The Journal of chemical physics (21.05.2018)
Published in The Journal of chemical physics (21.05.2018)
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Journal Article
Amino Acid Anions in Organic Ionic Compounds. An ab Initio Study of Selected Ion Pairs
Benedetto, A, Bodo, E, Gontrani, L, Ballone, P, Caminiti, R
Published in The journal of physical chemistry. B (06.03.2014)
Published in The journal of physical chemistry. B (06.03.2014)
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Journal Article
Interaction and dynamics of ionic liquids based on choline and amino acid anions
Campetella, M, Bodo, E, Caminiti, R, Martino, A, D'Apuzzo, F, Lupi, S, Gontrani, L
Published in The Journal of chemical physics (21.06.2015)
Published in The Journal of chemical physics (21.06.2015)
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Journal Article
New insights into chloromethyl-oxirane and chloromethyl-thiirane in liquid and solid phase from low-temperature infrared spectroscopy and ab initio modeling
Palumbo, O., Paolone, A., Campetella, M., Ramondo, F., Cappelluti, F., Gontrani, L.
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (15.02.2021)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (15.02.2021)
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Journal Article
Structural and vibrational study of 2-MethoxyEthylAmmonium Nitrate (2-OMeEAN): Interpretation of experimental results with ab initio molecular dynamics
Campetella, M, Bovi, D, Caminiti, R, Guidoni, L, Bencivenni, L, Gontrani, L
Published in The Journal of chemical physics (14.07.2016)
Published in The Journal of chemical physics (14.07.2016)
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The structural organization of N-methyl-2-pyrrolidone + water mixtures: a densitometry, x-ray diffraction, and molecular dynamics study
Usula, M, Mocci, F, Marincola, F Cesare, Porcedda, S, Gontrani, L, Caminiti, R
Published in The Journal of chemical physics (28.03.2014)
Published in The Journal of chemical physics (28.03.2014)
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Journal Article
FTIR spectra and density functional theory P.E.D. assignments of oxiranes in Ar matrix at 12 K
Gontrani, L, Cesaro, S Nunziante, Stranges, S, Bencivenni, L, Pieretti, A, Pierett, A
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (24.02.2014)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (24.02.2014)
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Journal Article
A new electrochemical sensor for extra-virgin olive oils classification
Zappi, D., Sadun, C., Gontrani, L., Dini, D., Antonelli, M.L.
Published in Food control (01.03.2020)
Published in Food control (01.03.2020)
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Journal Article
Physical-chemical studies on putrescine (butane-1,4-diamine) and its solutions: Experimental and computational investigations
Campetella, M., Cappelluti, F., Fasolato, C., Conte, D., Palumbo, O., Paolone, A., Carbone, M., Postorino, P., Gontrani, L.
Published in Journal of molecular liquids (15.01.2021)
Published in Journal of molecular liquids (15.01.2021)
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Journal Article
Erratum to “FTIR spectra and density functional theory P.E.D. assignments of oxiranes in Ar matrix at 12 K” [Spectrochim. Acta A: Mol. Biomol. Spectrosc. 120 (2014) 558–567]
Gontrani, L., Nunziante Cesaro, S., Stranges, S., Bencivenni, L., Pieretti, A.
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (24.04.2014)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (24.04.2014)
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Journal Article
Energy dispersive X-ray diffraction and molecular dynamics meet: The structure of liquid pyrrole
Gontrani, Lorenzo, Ramondo, Fabio, Caminiti, Ruggero
Published in Chemical physics letters (09.01.2006)
Published in Chemical physics letters (09.01.2006)
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Journal Article