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Structural Features of Triethylammonium Acetate through Molecular Dynamics

Molecules (Basel, Switzerland), 2020-03, Vol.25 (6), p.1432

Bodo, Enrico

2020

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Solvation of Model Biomolecules in Choline-Aminoate Ionic Liquids: A Computational Simulation Using Polarizable Force Fields

Molecules (Basel, Switzerland), 2024-04, Vol.29 (7), p.1524

2024

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Cholinium amino acid-based ionic liquids

Biophysical reviews, 2021-02, Vol.13 (1), p.147-160

2021

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About the Formation of NH2OH+ from Gas Phase Reactions under Astrochemical Conditions

Molecules (Basel, Switzerland), 2023-03, Vol.28 (7), p.2932

2023

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Reactive pathways toward parasitic release of singlet oxygen in metal-air batteries

npj computational materials, 2021-08, Vol.7 (1), p.1-8, Article 126

2021

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Perspectives in the Computational Modeling of New Generation, Biocompatible Ionic Liquids

The journal of physical chemistry. B, 2022-01, Vol.126 (1), p.3-13

Bodo, Enrico

2022

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A Computational Analysis of the Reaction of SO2 with Amino Acid Anions: Implications for Its Chemisorption in Biobased Ionic Liquids

Molecules (Basel, Switzerland), 2022-06, Vol.27 (11), p.3604

2022

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Theoretical study of ionic liquids based on the cholinium cation. Ab initio simulations of their condensed phases

The Journal of chemical physics, 2016-03, Vol.144 (10), p.104504-104504

2016

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Interaction of a long alkyl chain protic ionic liquid and water

The Journal of chemical physics, 2014-05, Vol.140 (20), p.204503-204503

2014

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Modelling biocompatible ionic liquids based on organic acids and amino acids: challenges for computational models and future perspectives

Organic & biomolecular chemistry, 2021-05, Vol.19 (18), p.42-413

Bodo, Enrico

2021

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Vibrational signatures of curcumin’s chelation in copper(II) complexes: An appraisal by IRMPD spectroscopy

The Journal of chemical physics, 2019-04, Vol.150 (16), p.165101-165101

2019

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Structural Properties of 1-Alkyl-3-methylimidazolium Bis{(trifluoromethyl)sulfonyl}amide Ionic Liquids: X-ray Diffraction Data and Molecular Dynamics Simulations

The journal of physical chemistry. B, 2010-12, Vol.114 (49), p.16398-16407

2010

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The Interpretation of Diffraction Patterns of Two Prototypical Protic Ionic Liquids: a Challenging Task for Classical Molecular Dynamics Simulations

The journal of physical chemistry. B, 2012-11, Vol.116 (43), p.13024-13032

2012

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Ultra-Fast-VUV Photoemission Study of UV Excited 2‑Nitrophenol

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-02, Vol.123 (7), p.1295-1302

2019

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Theoretical Insights into the Structure of the Aminotris(Methylenephosphonic Acid) (ATMP) Anion: A Possible Partner for Conducting Ionic Media

Symmetry (Basel), 2020-06, Vol.12 (6), p.920

2020

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CO2 Capture in Biocompatible Amino Acid Ionic Liquids: Exploring the Reaction Mechanisms for Bimolecular Absorption Processes

The journal of physical chemistry. B, 2021-06, Vol.125 (21), p.5611-5619

2021

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CO2 Capture in Ionic Liquids Based on Amino Acid Anions With Protic Side Chains: a Computational Assessment of Kinetically Efficient Reaction Mechanisms

ChemistryOpen (Weinheim), 2020-11, Vol.9 (11), p.1153-1160

2020

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Lanthanum(III) and Lutetium(III) in Nitrate-Based Ionic Liquids: A Theoretical Study of Their Coordination Shell

The journal of physical chemistry. B, 2015-09, Vol.119 (35), p.11833-11838

Bodo, Enrico

2015

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Hydrogen Bonding as a Clustering Agent in Protic Ionic Liquids: Like-Charge vs Opposite-Charge Dimer Formation

ACS omega, 2018-09, Vol.3 (9), p.10589-10600

2018

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CO 2 Capture in Biocompatible Amino Acid Ionic Liquids: Exploring the Reaction Mechanisms for Bimolecular Absorption Processes

The journal of physical chemistry. B, 2021-06, Vol.125 (21), p.5611-5619

2021

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A polarisable force field for bio-compatible ionic liquids based on amino acids anions

Molecular simulation, 2022-12, Vol.48 (18), p.1650-1659

2022

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Welcome to Liquids: An Open Access Journal

Liquids, 2021-11, Vol.1 (1), p.75-76

Bodo, Enrico

2021

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Assessing the Structure of Protic Ionic Liquids Based on Triethylammonium and Organic Acid Anions

The journal of physical chemistry. B, 2021-03, Vol.125 (10), p.2781-2792

2021

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X-Ray absorption spectroscopy investigation of 1-alkyl-3-methylimidazolium bromide salts

The Journal of chemical physics, 2011-08, Vol.135 (7), p.074505-074505-7

2011

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Superoxide Anion Disproportionation Induced by Li+ and H+: Pathways to 1O2 Release in Li−O2 Batteries

Chemphyschem, 2020-09, Vol.21 (18), p.2060-2067

2020

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Structural Features of Triethylammonium Acetate through Molecular Dynamics

Solvation of Model Biomolecules in Choline-Aminoate Ionic Liquids: A Computational Simulation Using Polarizable Force Fields

Cholinium amino acid-based ionic liquids

About the Formation of NH2OH+ from Gas Phase Reactions under Astrochemical Conditions

Reactive pathways toward parasitic release of singlet oxygen in metal-air batteries

Perspectives in the Computational Modeling of New Generation, Biocompatible Ionic Liquids

A Computational Analysis of the Reaction of SO2 with Amino Acid Anions: Implications for Its Chemisorption in Biobased Ionic Liquids

Theoretical study of ionic liquids based on the cholinium cation. Ab initio simulations of their condensed phases

Interaction of a long alkyl chain protic ionic liquid and water

Modelling biocompatible ionic liquids based on organic acids and amino acids: challenges for computational models and future perspectives

Vibrational signatures of curcumin’s chelation in copper(II) complexes: An appraisal by IRMPD spectroscopy

Structural Properties of 1-Alkyl-3-methylimidazolium Bis{(trifluoromethyl)sulfonyl}amide Ionic Liquids: X-ray Diffraction Data and Molecular Dynamics Simulations

The Interpretation of Diffraction Patterns of Two Prototypical Protic Ionic Liquids: a Challenging Task for Classical Molecular Dynamics Simulations

Ultra-Fast-VUV Photoemission Study of UV Excited 2‑Nitrophenol

Theoretical Insights into the Structure of the Aminotris(Methylenephosphonic Acid) (ATMP) Anion: A Possible Partner for Conducting Ionic Media

CO2 Capture in Biocompatible Amino Acid Ionic Liquids: Exploring the Reaction Mechanisms for Bimolecular Absorption Processes

CO2 Capture in Ionic Liquids Based on Amino Acid Anions With Protic Side Chains: a Computational Assessment of Kinetically Efficient Reaction Mechanisms

Lanthanum(III) and Lutetium(III) in Nitrate-Based Ionic Liquids: A Theoretical Study of Their Coordination Shell

Hydrogen Bonding as a Clustering Agent in Protic Ionic Liquids: Like-Charge vs Opposite-Charge Dimer Formation

CO 2 Capture in Biocompatible Amino Acid Ionic Liquids: Exploring the Reaction Mechanisms for Bimolecular Absorption Processes

A polarisable force field for bio-compatible ionic liquids based on amino acids anions

Welcome to Liquids: An Open Access Journal

Assessing the Structure of Protic Ionic Liquids Based on Triethylammonium and Organic Acid Anions

X-Ray absorption spectroscopy investigation of 1-alkyl-3-methylimidazolium bromide salts

Superoxide Anion Disproportionation Induced by Li+ and H+: Pathways to 1O2 Release in Li−O2 Batteries

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