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Pressure-induced mesoscopic disorder in protic ionic liquids: first computational study

Physical chemistry chemical physics : PCCP, 2016-01, Vol.18 (4), p.2297-232

2016

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Nanoscale organization in the fluorinated room temperature ionic liquid: Tetraethyl ammonium (trifluoromethanesulfonyl)(nonafluorobutylsulfonyl)imide

The Journal of chemical physics, 2018-05, Vol.148 (19), p.193816-193816

2018

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Effect of alkyl chain length in protic ionic liquids: an AIMD perspective

Molecular physics, 2017-07, Vol.115 (13), p.1582-1589

2017

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Amino Acid Anions in Organic Ionic Compounds. An ab Initio Study of Selected Ion Pairs

The journal of physical chemistry. B, 2014-03, Vol.118 (9), p.2471-2486

2014

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Interaction and dynamics of ionic liquids based on choline and amino acid anions

The Journal of chemical physics, 2015-06, Vol.142 (23), p.234502-234502

2015

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Water and hexane in an ionic liquid: computational evidence of association under high pressure

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (13), p.8661-8666

2017

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New insights into chloromethyl-oxirane and chloromethyl-thiirane in liquid and solid phase from low-temperature infrared spectroscopy and ab initio modeling

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2021-02, Vol.247, p.119061, Article 119061

2021

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Mesoscopic structural organization in fluorinated pyrrolidinium-based room temperature ionic liquids

Journal of molecular liquids, 2019-09, Vol.289, p.111110, Article 111110

2019

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Structural and vibrational study of 2-MethoxyEthylAmmonium Nitrate (2-OMeEAN): Interpretation of experimental results with ab initio molecular dynamics

The Journal of chemical physics, 2016-07, Vol.145 (2), p.024507-024507

2016

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The structural organization of N-methyl-2-pyrrolidone + water mixtures: a densitometry, x-ray diffraction, and molecular dynamics study

The Journal of chemical physics, 2014-03, Vol.140 (12), p.124503-124503

2014

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FTIR spectra and density functional theory P.E.D. assignments of oxiranes in Ar matrix at 12 K

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2014-02, Vol.120, p.558

2014

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FTIR spectra and density functional theory P.E.D. assignments of oxiranes in Ar matrix at 12K

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2014-02, Vol.120, p.558-567

2014

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Water and hexane in an ionic liquid: computational evidence of association under high pressureElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp08450h

2017-03

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A new electrochemical sensor for extra-virgin olive oils classification

Food control, 2020-03, Vol.109, p.106903, Article 106903

2020

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The structural organization of N-methyl-2-pyrrolidone plus water mixtures: A densitometry, x-ray diffraction, and molecular dynamics study

The Journal of chemical physics, 2014-03, Vol.140 (12), p.124503

2014

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Physical-chemical studies on putrescine (butane-1,4-diamine) and its solutions: Experimental and computational investigations

Journal of molecular liquids, 2021-01, Vol.322, p.114568, Article 114568

2021

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Nanoscale organization in the fluorinated room temperature ionic liquid: Tetraethyl ammonium (trifluoromethanesulfonyl)(nonafluorobutylsulfonyl)imide

The Journal of chemical physics, 2018-02, Vol.148 (19)

2018

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Chloromethyl-oxirane and chloromethyl-thiirane in liquid phase: A joint experimental and quantum chemical study

Chemical physics, 2016-07, Vol.473, p.24-31

2016

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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]

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2014-04, Vol.124, p.703-703

2014

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Energy dispersive X-ray diffraction and molecular dynamics meet: The structure of liquid pyrrole

Chemical physics letters, 2006-01, Vol.417 (1), p.200-205

2006

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Structural Determination of Ionic Liquids with Theoretical Methods: C 8 mimBr and C 8 mimCl. Strength and Weakness of Current Force Fields

The journal of physical chemistry letters, 2010-04, Vol.1 (7), p.1095-1100

2010

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Furan and thiophene in liquid phase: An X-ray and molecular dynamics study

Chemical physics letters, 2006-04, Vol.422 (1), p.256-261

2006

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Hydrogen bonding in barbituric and 2-thiobarbituric acids: a theoretical and FT-IR study

Chemical physics, 2001-09, Vol.271 (3), p.293-308

2001

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Glycine and alanine: a theoretical study of solvent effects upon energetics and molecular response properties

Journal of molecular structure. Theochem, 2000-04, Vol.500 (1-3), p.113-127

2000

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Molecular aggregation phenomena in solution: an energy dispersive X-ray diffraction study of concentrated imidazole water solutions

Chemical physics letters, 1999-02, Vol.301 (1), p.131-137

1999

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Pressure-induced mesoscopic disorder in protic ionic liquids: first computational study

Nanoscale organization in the fluorinated room temperature ionic liquid: Tetraethyl ammonium (trifluoromethanesulfonyl)(nonafluorobutylsulfonyl)imide

Effect of alkyl chain length in protic ionic liquids: an AIMD perspective

Amino Acid Anions in Organic Ionic Compounds. An ab Initio Study of Selected Ion Pairs

Interaction and dynamics of ionic liquids based on choline and amino acid anions

Water and hexane in an ionic liquid: computational evidence of association under high pressure

New insights into chloromethyl-oxirane and chloromethyl-thiirane in liquid and solid phase from low-temperature infrared spectroscopy and ab initio modeling

Mesoscopic structural organization in fluorinated pyrrolidinium-based room temperature ionic liquids

Structural and vibrational study of 2-MethoxyEthylAmmonium Nitrate (2-OMeEAN): Interpretation of experimental results with ab initio molecular dynamics

The structural organization of N-methyl-2-pyrrolidone + water mixtures: a densitometry, x-ray diffraction, and molecular dynamics study

FTIR spectra and density functional theory P.E.D. assignments of oxiranes in Ar matrix at 12 K

FTIR spectra and density functional theory P.E.D. assignments of oxiranes in Ar matrix at 12K

Water and hexane in an ionic liquid: computational evidence of association under high pressureElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp08450h

A new electrochemical sensor for extra-virgin olive oils classification

The structural organization of N-methyl-2-pyrrolidone plus water mixtures: A densitometry, x-ray diffraction, and molecular dynamics study

Physical-chemical studies on putrescine (butane-1,4-diamine) and its solutions: Experimental and computational investigations

Nanoscale organization in the fluorinated room temperature ionic liquid: Tetraethyl ammonium (trifluoromethanesulfonyl)(nonafluorobutylsulfonyl)imide

Chloromethyl-oxirane and chloromethyl-thiirane in liquid phase: A joint experimental and quantum chemical study

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]

Energy dispersive X-ray diffraction and molecular dynamics meet: The structure of liquid pyrrole

Structural Determination of Ionic Liquids with Theoretical Methods: C 8 mimBr and C 8 mimCl. Strength and Weakness of Current Force Fields

Furan and thiophene in liquid phase: An X-ray and molecular dynamics study

Hydrogen bonding in barbituric and 2-thiobarbituric acids: a theoretical and FT-IR study

Glycine and alanine: a theoretical study of solvent effects upon energetics and molecular response properties

Molecular aggregation phenomena in solution: an energy dispersive X-ray diffraction study of concentrated imidazole water solutions

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