Thermochemistry of 1-alkylimidazoles
J. Chem. Thermodyn. 2015, 80, 59–64.
Publications List
2015
Solvent Effects on the Polar Network of Ionic Liquid Solutions
J. Phys. Condens. Matter 2015 27, 194116.
Evaluation of the OPLS-AA Force Field for the Study of Structural and Energetic Aspects of Molecular Organic Crystals
J. Phys. Chem. A 2015, 119, 3023-3034.
Size Matters: An Experimental and Computational Study of the Influence of Particle Size on the Lattice Energy of NaCl
J. Phys. Chem. C 2015, 119, 4387-4396.
Modeling the Structure and Thermodynamics of Ferrocinium-Based Ionic Liquids.
Phys.Chem. Chem. Phys. 2015, 17, 10200-10208.
Kinetics and Mechanism of the Thermal Dehydration of a Robust and Yet Metastable Hemihydrate of 4-Hydroxynicotinic Acid
Cryst. Growth Des. 2015 , 15, 3511-3524.
2014
The Complex Structure of Ionic Liquids at an Atomistic Level: from "red-and-greens" to Charge Templates
Pure Appl. Chem. 2014, 86, 119–133.
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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