Thermochemistry of 4-HOC6H4COR (R = H, CH3, C2H5, n-C3H7, n-C4H9, n-C5H11, and n-C6H13) compounds
J. Chem. Thermodyn. 2017, 104, 281-287.
Publications List
2017
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A New Polymorph of 4'-Hydroxyvalerophenone Revealed by Thermoanalytical and X-ray Diffraction Studies
Eur. Phys. J. 2017, 226, 849-855.
AGGREGATES: Finding Structures in Simulation Results of Solutions
J. Comp. Chem. 2017, 38, 753-765.
Polymorphic Phase Transition in 4'-Hydroxyacetophenone: Equilibrium Temperature, Kinetic Barrier and the Relative Stability of Z' = 1 and Z' = 2 Forms
Cryst. Growth Des. 2017, 17, 1918-1932.
Structure–Property Relationships in Protic Ionic Liquids: a Thermochemical Study
Phys. Chem. Chem. Phys. 2017, 19, 19928-19936.
Structure–Property Relationships in Protic Ionic Liquids: a Study of Solvent–Solvent and Solvent–Solute Interactions
Phys. Chem. Chem. Phys. 2017, 19, 28133-28138.
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Ionic Liquids with Anions Based on Fluorosulfonyl Derivatives: from Asymmetrical Substitutions to a Consistent Force Field Model
Phys. Chem. Chem. Phys. 2017, 19, 29617-29624.
Modeling Halogen Bonds in Ionic Liquids: A Force Field for Imidazolium and Halo-Imidazolium Derivatives
J. Chem. Theory Comput. 2017, 13, 6167-6176.
2016
Mixtures of the 1-ethyl-3-methylimidazolium acetate ionic liquid with different inorganic salts: Insights into their interaction
Phys. Chem. Chem. Phys. 2016, 18, 2756-2766.
Structural and Energetic Characterization of Anhydrous and Hemihydrated 2-mercaptoimidazole: Calorimetric, X-ray Diffraction, and Computational Studies
J. Chem. Thermodyn. 2016, 95, 35-48.
The Standard Molar Enthalpy of the Base Catalysed Hydrolysis of Methylparaben Revisited
J. Chem. Thermodyn. 2016, 103, 176-180.
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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