The Complex Structure of Ionic Liquids at an Atomistic Level: from "red-and-greens" to Charge Templates
Pure Appl. Chem. 2014, 86, 119–133.
Publications List
2014
Structure and Aggregation in the 1,3-Dialkyl-imidazolium Bis(trifluoromethylsulfonyl)imide Ionic Liquid Family: 2. From Single to Double Long Alkyl Side Chains
J. Phys. Chem. B 2014, 118, 6885−6895.
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Structure and Aggregation in the 1-Alkyl-3-Methylimidazolium Bis(trifluoromethylsulfonyl)-imide Ionic Liquid Homologous Series
J. Phys. Chem. B 2014, 118, 567−576.
Thermal Stability of Simvastatin Under Different Atmospheres
J. Pharm. Sci. 2014, 103, 241-248.
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Polymorphism in 4'-hydroxyacetophenone: A Vibrational Analysis
J. Mol. Struct. 2014, 1078, 181–187.
Thermochemistry of 1,1,3,3-tetramethylguanidine and 1,1,3,3-tetramethylguanidinium Nitrate
J. Chem. Thermodyn. 2014, 77, 179–189.
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Thermochemistry of 2,2,5,7,8-pentamethylchroman-6-ol (PMC) and 6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid (trolox)
J. Chem. Thermodyn. 2014, 73, 140–147.
From Molecules to Crystals: The Solvent Plays an Active Role Throughout the Nucleation Pathway of Molecular Organic Crystals
Cryst. Growth Des. . 2014, 14, 5436−5441.
2013
Polymorphism in 4-Hydroxybenzaldehyde: A Crystal Packing and Thermodynamic Study
Cryst. Growth Des. 2013, 13, 2803−2814.
All-Atom Force Field for Molecular Dynamics Simulations on Organotransition Metal Solids and Liquids. Application to M(CO)n (M = Cr, Fe, Ni, Mo, Ru, or W) Compounds
J. Phys. Chem. A 2017, 118, 11107−11113.
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Nano-segregation in Ionic Liquids: Scorpions and Vanishing Chains
Phys. Chem. Chem. Phys. 2013, 15, 16256-16262.
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High Ionicity Ionic Liquids (HIILs): Comparing the Effect of Ethylsulfonate and Ethylsulfate Anions
Phys. Chem. Chem. Phys.. 2013, 15, 18138-18147.
2012
Inorganic Salts in Purely Ionic Liquid Media: the Development of High Ionicity Ionic Liquids (HIILs)
Chem. Commun. 2012, 48, 3656–3658.
Crystallization of 4'-Hydroxyacetophenone from Water: Control of Polymorphism via Phase Diagram Studies
Cryst. Growth Des. 2012, 12, 2932−2941.
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Heat Capacity and Thermodynamics of Solid and Liquid Pyridine-3-carboxylic acid (Nicotinic Acid) Over the Temperature Range 296 K to 531 K
J. Chem. Thermodyn. 2012, 55, 23–28.
Polymorphism in 4'-Hydroxyacetophenone: A Molecular Dynamics Simulation Study
J. Phys. Chem. B 2012, 116, 5179-5184.
A General Strategy for the Experimental Study of the Thermochemistry of Protic Ionic Liquids: Enthalpy of Formation and Vaporisation of 1-methylimidazolium Ethanoate
Phys. Chem. Chem. Phys. 2012, 14, 4440–4446.
2011
A Robust yet Metastable New Hemihydrate of 4-Hydroxynicotinic Acid
Cryst. Growth Des. 2011, 11, 2803–2810.
The Structure of Aqueous Solutions of a Hydrophilic Ionic Liquid: The Full Concentration Range of 1-Ethyl-3-methylimidazolium Ethylsulfate and Water
J. Phys. Chem. B 2011, 115, 2067–2074.
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2010
Structure and Energetics of a New Hydrate of 4'-Hydroxyacetophenone
Cryst. Growth Des. 2010, 10, 3070-3076.
Energetics of Aqueous Solutions of the Ionic Liquid 1-Ethyl-3-methylimidazolium Ethylsulfate
J. Phys. Chem. B 2010, 114, 13179–13188.
Mutual Solubility of Water and Structural/Positional Isomers of N-Alkylpyridinium-Based Ionic Liquids
J. Phys. Chem. B 2010, 114, 15925–15934.
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A Fully Automatic Apparatus for Thermal Analysis of Crystallization from Solution and Metastable Zone Width Determinations
J. Therm. Anal. Calorim. 2010, 100, 493–500.
2008-2009
Polymorphism in 4'-Hydroxyacetophenone: Structure and Energetics
Cryst. Growth Des. 2008, 8, 2419–2430.
Energetics of the O-H Bond and of Intramolecular Hydrogen Bonding in HOC6H4C(O)Y Compounds
J. Phys. Chem. A 2008, 112, 10029–10039.
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A Calorimetric System Based on the LKB 10700-1 Flow Microcalorimeter
Meas. Sci. Technol. 2009, 20, 075107.
2007
Energetics of the Thermal Dimerization of Acenaphthylene to Heptacyclene
J. Chem. Thermodyn. 2007, 39, 1384-1391.
Energetics of C-F, C-Cl, C-Br, and C-I Bonds in 2-Haloethanols. Enthalpies of Formation of XCH2CH2OH (X ) F, Cl, Br, I) Compounds and of the 2-Hydroxyethyl Radical
J. Phys. Chem. A 2007, 111, 1713-1720.
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2006
Energetics of the Thermal Dimerization of Acenaphthylene to Heptacyclene
J. Phys. Chem. A 2006, 110, 2299-2307.
Effect of Ring Substitution on the S-H Bond Dissociation Enthalpies of Thiophenols. An Experimental and Computational Study
J. Phys. Chem. A 2006, 110, 9949-9958.
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A New Calorimetric System to Measure Heat Capacities of Solids by the Drop Method
Meas. Sci. Technol. 2006, 17, 1405–1408.
Comparative Study of Al-MCM Materials Prepared at Room Temperature with Different Aluminium Sources and by some Hydrothermal Methods
Micropor. Mesopor. Mater. 2006, 92, 270–285.
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