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Structure and Aggregation in the 1‑Alkyl-3-Methylimidazolium Bis(trifluoromethylsulfonyl)imide Ionic Liquid Homologous Series

The journal of physical chemistry. B, 2014-01, Vol.118 (2), p.567-576

2014

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Evaluation of the OPLS-AA Force Field for the Study of Structural and Energetic Aspects of Molecular Organic Crystals

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-03, Vol.119 (12), p.3023-3034

2015

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Nano-segregation in ionic liquids: scorpions and vanishing chains

Physical chemistry chemical physics : PCCP, 2013-10, Vol.15 (38), p.16256-16262

2013

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The Structure of Aqueous Solutions of a Hydrophilic Ionic Liquid: The Full Concentration Range of 1-Ethyl-3-methylimidazolium Ethylsulfate and Water

The journal of physical chemistry. B, 2011-03, Vol.115 (9), p.2067-2074

2011

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Structure and Aggregation in the 1,3-Dialkyl-imidazolium Bis(trifluoromethylsulfonyl)imide Ionic Liquid Family: 2. From Single to Double Long Alkyl Side Chains

The journal of physical chemistry. B, 2014-06, Vol.118 (24), p.6885-6895

2014

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Structure-property relationships in protic ionic liquids: a study of solvent-solvent and solvent-solute interactions

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (41), p.28133-28138

2017

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AGGREGATES: Finding structures in simulation results of solutions

Journal of computational chemistry, 2017-04, Vol.38 (10), p.753-765

Bernardes, Carlos E. S.

2017

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DLPGEN: Preparing Molecular Dynamics Simulations with Support for Polarizable Force Fields

Journal of chemical information and modeling, 2022-03, Vol.62 (6), p.1471-1478

Bernardes, Carlos E. S

2022

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Mutual Solubility of Water and Structural/Positional Isomers of N-Alkylpyridinium-Based Ionic Liquids

The journal of physical chemistry. B, 2010-12, Vol.114 (48), p.15925-15934

2010

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Water Solubility Trends in Ionic Liquids: The Quantitative Structure–Property Relationship Model versus Molecular Dynamics

The journal of physical chemistry. B, 2021-10, Vol.125 (41), p.11491-11497

2021

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Modeling the structure and thermodynamics of ferrocenium-based ionic liquids

Physical chemistry chemical physics : PCCP, 2015-04, Vol.17 (15), p.12-128

2015

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A general strategy for the experimental study of the thermochemistry of protic ionic liquids: enthalpy of formation and vaporisation of 1-methylimidazolium ethanoate

Physical chemistry chemical physics : PCCP, 2012-04, Vol.14 (13), p.4440-4446

2012

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C13 - a new empirical force field to characterize the mechanical behavior of carbyne chains

Physical chemistry chemical physics : PCCP, 2020-01, Vol.22 (2), p.758-771

2020

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High ionicity ionic liquids (HIILs): comparing the effect of ethylsulfonate and ethylsulfate anions

Physical chemistry chemical physics : PCCP, 2013-11, Vol.15 (41), p.18138-18147

2013

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Tuning the miscibility of water in imide-based ionic liquids

Physical chemistry chemical physics : PCCP, 2020-11, Vol.22 (43), p.25236-25242

2020

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First and Second Dissociation Enthalpies in Bi-Component Crystals Consisting of Maleic Acid and L-Phenylalanine

Molecules (Basel, Switzerland), 2021-09, Vol.26 (18), p.5714

2021

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Polymorphism in 4′-Hydroxyacetophenone: A Molecular Dynamics Simulation Study

The journal of physical chemistry. B, 2012-05, Vol.116 (17), p.5179-5184

2012

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Modeling Halogen Bonds in Ionic Liquids: A Force Field for Imidazolium and Halo-Imidazolium Derivatives

Journal of chemical theory and computation, 2017-12, Vol.13 (12), p.6167-6176

2017

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Polymorphism in Simvastatin: Twinning, Disorder, and Enantiotropic Phase Transitions

Molecular pharmaceutics, 2018-11, Vol.15 (11), p.5349-5360

2018

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Structure-property relationships in protic ionic liquids: a thermochemical study

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (30), p.19928-19936

2017

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Extraction Optimization and Structural and Thermal Characterization of the Antimicrobial Abietane 7α-Acetoxy-6β-hydroxyroyleanone

Molecular pharmaceutics, 2018-04, Vol.15 (4), p.1412-1419

2018

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Isotropic liquid state of cocoa butter

Food chemistry, 2024-05, Vol.439, p.138066-138066, Article 138066

2024

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Kinetics and Mechanism of the Thermal Dehydration of a Robust and Yet Metastable Hemihydrate of 4‑Hydroxynicotinic Acid

Crystal growth & design, 2015-07, Vol.15 (7), p.3511-3524

2015

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Energetics and Structure of Simvastatin

Molecular pharmaceutics, 2013-07, Vol.10 (7), p.2713-2722

2013

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Mixtures of the 1-ethyl-3-methylimidazolium acetate ionic liquid with different inorganic salts: insights into their interactions

Physical chemistry chemical physics : PCCP, 2016-01, Vol.18 (4), p.2756-2766

2016

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Structure and Aggregation in the 1‑Alkyl-3-Methylimidazolium Bis(trifluoromethylsulfonyl)imide Ionic Liquid Homologous Series

Evaluation of the OPLS-AA Force Field for the Study of Structural and Energetic Aspects of Molecular Organic Crystals

Nano-segregation in ionic liquids: scorpions and vanishing chains

The Structure of Aqueous Solutions of a Hydrophilic Ionic Liquid: The Full Concentration Range of 1-Ethyl-3-methylimidazolium Ethylsulfate and Water

Structure and Aggregation in the 1,3-Dialkyl-imidazolium Bis(trifluoromethylsulfonyl)imide Ionic Liquid Family: 2. From Single to Double Long Alkyl Side Chains

Structure-property relationships in protic ionic liquids: a study of solvent-solvent and solvent-solute interactions

AGGREGATES: Finding structures in simulation results of solutions

DLPGEN: Preparing Molecular Dynamics Simulations with Support for Polarizable Force Fields

Mutual Solubility of Water and Structural/Positional Isomers of N-Alkylpyridinium-Based Ionic Liquids

Water Solubility Trends in Ionic Liquids: The Quantitative Structure–Property Relationship Model versus Molecular Dynamics

Modeling the structure and thermodynamics of ferrocenium-based ionic liquids

A general strategy for the experimental study of the thermochemistry of protic ionic liquids: enthalpy of formation and vaporisation of 1-methylimidazolium ethanoate

C13 - a new empirical force field to characterize the mechanical behavior of carbyne chains

High ionicity ionic liquids (HIILs): comparing the effect of ethylsulfonate and ethylsulfate anions

Tuning the miscibility of water in imide-based ionic liquids

First and Second Dissociation Enthalpies in Bi-Component Crystals Consisting of Maleic Acid and L-Phenylalanine

Polymorphism in 4′-Hydroxyacetophenone: A Molecular Dynamics Simulation Study

Modeling Halogen Bonds in Ionic Liquids: A Force Field for Imidazolium and Halo-Imidazolium Derivatives

Polymorphism in Simvastatin: Twinning, Disorder, and Enantiotropic Phase Transitions

Structure-property relationships in protic ionic liquids: a thermochemical study

Extraction Optimization and Structural and Thermal Characterization of the Antimicrobial Abietane 7α-Acetoxy-6β-hydroxyroyleanone

Isotropic liquid state of cocoa butter

Kinetics and Mechanism of the Thermal Dehydration of a Robust and Yet Metastable Hemihydrate of 4‑Hydroxynicotinic Acid

Energetics and Structure of Simvastatin

Mixtures of the 1-ethyl-3-methylimidazolium acetate ionic liquid with different inorganic salts: insights into their interactions

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