LE DONNE, ANDREA
LE DONNE, ANDREA
DIPARTIMENTO DI CHIMICA
Ab initio molecular dynamics study of phospho-amino acid-based ionic liquids: formation of zwitterionic anions in the presence of acidic side chains
2020 Adenusi, Henry; Le Donne, Andrea; Porcelli, Francesco; Bodo, Enrico
Assessing the Propensity Toward Ionization in Nanosized Clusters of Protic Ionic Liquids by Ab-initio Methods
2022 Le Donne, Andrea; Russo, Stefano; Bodo, Enrico
Chapter 1 - Disclosing the hierarchical structure of ionic liquid mixtures by multiscale computational methods
2021 Mariani, A.; Engelbrecht, L.; Le Donne, A.; Mocci, F.; Bodo, E.; Passerini, S.
Cholinium amino acid-based ionic liquids
2021 Le Donne, Andrea; Bodo, Enrico
CO2 Capture in Ionic Liquids Based on Amino Acid Anions With Protic Side Chains: a Computational Assessment of Kinetically Efficient Reaction Mechanisms
2020 Onofri, Stefano; Adenusi, Henry; Le Donne, Andrea; Bodo, Enrico
Counterintuitive Trend of Intrusion Pressure with Temperature in the Hydrophobic Cu2(tebpz) MOF
2024 Merchiori, Sebastiano; Donne, Andrea Le; Bhatia, Ribhu; Alvelli, Marta; Yu, Jiang‐jing; Wu, Xu‐dong; Li, Mian; Li, Dan; Scheller, Lukasz; Lowe, Alexander R.; Geppert‐rybczynska, Monika; Trump, Benjamin A.; Yakovenko, Andrey A.; Chorążewski, Mirosław; Zajdel, Paweł; Grosu, Yaroslav; Meloni, Simone
Effect of Crystallite Size on the Flexibility and Negative Compressibility of Hydrophobic Metal–Organic Frameworks
2023 Johnson, Liam J. W.; Mirani, Diego; Le Donne, Andrea; Bartolomé, Luis; Amayuelas, Eder; López, Gabriel A.; Grancini, Giulia; Carter, Marcus; Yakovenko, Andrey A.; Trump, Benjamin A.; Meloni, Simone; Zajdel, Paweł; Grosu, Yaroslav
Effect of linker hybridization on the wetting of hydrophobic metal-organic frameworks
2025 Amayuelas, Eder; Sharma, Sandeep Kumar; Mor, Jaideep; Bartolomé, Luis; Johnson, Liam J. W.; Caporale, Davide; Le Donne, Andrea; Sigolo, Gianmarco; Scheller, Łukasz; Cristiglio, Viviana; Zajdel, Pawel; Meloni, Simone; Grosu, Yaroslav
Exploring the Heat of Water Intrusion into a Metal–Organic Framework by Experiment and Simulation
2024 Lowe, Alexander R.; Ślęczkowski, Piotr; Arkan, Emre; Le Donne, Andrea; Bartolomé, Luis; Amayuelas, Eder; Zajdel, Paweł; Chorążewski, Mirosław; Meloni, Simone; Grosu, Yaroslav
Hydrogen bonding as a clustering agent in protic ionic liquids: like-charge vs opposite-charge dimer formation
2018 Le Donne, Andrea; Adenusi, Henry; Porcelli, Francesco; Bodo, Enrico
Hydrogen bonding features in cholinium-based protic ionic liquids from molecular dynamics simulations
2018 Campetella, Marco; Le Donne, Andrea; Daniele, Maddalena; Gontrani, Lorenzo; Lupi, Stefano; Bodo, Enrico; Leonelli, Francesca
Hydrogen bonding in biocompatible ionic liquids: an ab-initio characterization of dimeric interactions
2021 Le Donne, Andrea; Adenusi, Henry; Porcelli, Francesco; Bodo, Enrico
Hydrophobicity of molecular-scale textured surfaces: The case of zeolitic imidazolate frameworks, an atomistic perspective
2023 Le Donne, Andrea; Littlefair, Josh D.; Tortora, Marco; Merchiori, Sebastiano; Bartolomé, Luis; Grosu, Yaroslav; Meloni, Simone
Isomerization patterns and proton transfer in ionic liquids constituents as probed by ab-initio computation
2018 Bodo, Enrico; Le Donne, Andrea
Mechanism of water intrusion into flexible {ZIF}-8: liquid is not vapor
2023 Amayuelas, Eder; Tortora, Marco; Bartolom('(e)), Luis; David Littlefair, Josh; Paulo, Gon(c(c))alo; LE DONNE, Andrea; Trump, Benjamin; Andreevich Yakovenko, Andrey; (z))ewski, Miros(l)aw Chor(k(a))(.; Giacomello, Alberto; Zajdel, Pawe(l); Meloni, Simone; Grosu, Yaroslav
Mild-Temperature Supercritical Water Confined in Hydrophobic Metal–Organic Frameworks
2024 Merchiori, Sebastiano; Le Donne, Andrea; Littlefair, Josh D.; Lowe, Alexander Rowland; Yu, Jiang-Jing; Wu, Xu-Dong; Li, Mian; Li, Dan; Geppert-Rybczyńska, Monika; Scheller, Lukasz; Trump, Benjamin A.; Yakovenko, Andrey A.; Zajdel, Paweł; Chorążewski, Mirosław; Grosu, Yaroslav; Meloni, Simone
Strong intramolecular hydrogen bonding in protonated β-methylaminoalanine: a vibrational spectroscopic and computational study
2019 Linford, Bryan D; Le Donne, Andrea; Scuderi, Debora; Bodo, Enrico; Fridgen, Travis D
Structural features of cholinium based protic ionic liquids through molecular dynamics
2019 Le Donne, Andrea; Adenusi, Henry; Porcelli, Francesco; Bodo, Enrico
Triboelectrification During Water Intrusion–Extrusion into‐from Hydrophobic Nanopores
2024 Bartolomé, Luis; Littlefair, Josh David; Amayuelas, Eder; Johnson, Liam J. W.; Le Donne, Andrea; Šutka, Andris; Meloni, Simone; Grosu, Yaroslav
Tuning the Wettability of Hydrophobic Metal–Organic Frameworks by Linker-Doping
2026 Caporale, Davide; Moreno-Rodríguez, Daniel; Le Donne, Andrea; Amayuelas, Eder; Bartolomé, Luis; Gourmand, Cléophée; López, Gabriel Alejandro; Gómez, Kerman; López Del Amo, Juan Miguel; Tinti, Antonio; Merchiori, Sebastiano; Giacomello, Alberto; Meloni, Simone; Grosu, Yaroslav
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| Ab initio molecular dynamics study of phospho-amino acid-based ionic liquids: formation of zwitterionic anions in the presence of acidic side chains | 2020 | Adenusi, Henry; Le Donne, Andrea; Porcelli, Francesco; Bodo, Enrico | |
| Assessing the Propensity Toward Ionization in Nanosized Clusters of Protic Ionic Liquids by Ab-initio Methods | 2022 | Le Donne, Andrea; Russo, Stefano; Bodo, Enrico | |
| Chapter 1 - Disclosing the hierarchical structure of ionic liquid mixtures by multiscale computational methods | 2021 | Mariani, A.; Engelbrecht, L.; Le Donne, A.; Mocci, F.; Bodo, E.; Passerini, S. | |
| Cholinium amino acid-based ionic liquids | 2021 | Le Donne, Andrea; Bodo, Enrico | |
| CO2 Capture in Ionic Liquids Based on Amino Acid Anions With Protic Side Chains: a Computational Assessment of Kinetically Efficient Reaction Mechanisms | 2020 | Onofri, Stefano; Adenusi, Henry; Le Donne, Andrea; Bodo, Enrico | |
| Counterintuitive Trend of Intrusion Pressure with Temperature in the Hydrophobic Cu2(tebpz) MOF | 2024 | Merchiori, Sebastiano; Donne, Andrea Le; Bhatia, Ribhu; Alvelli, Marta; Yu, Jiang‐jing; Wu, Xu‐dong; Li, Mian; Li, Dan; Scheller, Lukasz; Lowe, Alexander R.; Geppert‐rybczynska, Monika; Trump, Benjamin A.; Yakovenko, Andrey A.; Chorążewski, Mirosław; Zajdel, Paweł; Grosu, Yaroslav; Meloni, Simone | |
| Effect of Crystallite Size on the Flexibility and Negative Compressibility of Hydrophobic Metal–Organic Frameworks | 2023 | Johnson, Liam J. W.; Mirani, Diego; Le Donne, Andrea; Bartolomé, Luis; Amayuelas, Eder; López, Gabriel A.; Grancini, Giulia; Carter, Marcus; Yakovenko, Andrey A.; Trump, Benjamin A.; Meloni, Simone; Zajdel, Paweł; Grosu, Yaroslav | |
| Effect of linker hybridization on the wetting of hydrophobic metal-organic frameworks | 2025 | Amayuelas, Eder; Sharma, Sandeep Kumar; Mor, Jaideep; Bartolomé, Luis; Johnson, Liam J. W.; Caporale, Davide; Le Donne, Andrea; Sigolo, Gianmarco; Scheller, Łukasz; Cristiglio, Viviana; Zajdel, Pawel; Meloni, Simone; Grosu, Yaroslav | |
| Exploring the Heat of Water Intrusion into a Metal–Organic Framework by Experiment and Simulation | 2024 | Lowe, Alexander R.; Ślęczkowski, Piotr; Arkan, Emre; Le Donne, Andrea; Bartolomé, Luis; Amayuelas, Eder; Zajdel, Paweł; Chorążewski, Mirosław; Meloni, Simone; Grosu, Yaroslav | |
| Hydrogen bonding as a clustering agent in protic ionic liquids: like-charge vs opposite-charge dimer formation | 2018 | Le Donne, Andrea; Adenusi, Henry; Porcelli, Francesco; Bodo, Enrico | |
| Hydrogen bonding features in cholinium-based protic ionic liquids from molecular dynamics simulations | 2018 | Campetella, Marco; Le Donne, Andrea; Daniele, Maddalena; Gontrani, Lorenzo; Lupi, Stefano; Bodo, Enrico; Leonelli, Francesca | |
| Hydrogen bonding in biocompatible ionic liquids: an ab-initio characterization of dimeric interactions | 2021 | Le Donne, Andrea; Adenusi, Henry; Porcelli, Francesco; Bodo, Enrico | |
| Hydrophobicity of molecular-scale textured surfaces: The case of zeolitic imidazolate frameworks, an atomistic perspective | 2023 | Le Donne, Andrea; Littlefair, Josh D.; Tortora, Marco; Merchiori, Sebastiano; Bartolomé, Luis; Grosu, Yaroslav; Meloni, Simone | |
| Isomerization patterns and proton transfer in ionic liquids constituents as probed by ab-initio computation | 2018 | Bodo, Enrico; Le Donne, Andrea | |
| Mechanism of water intrusion into flexible {ZIF}-8: liquid is not vapor | 2023 | Amayuelas, Eder; Tortora, Marco; Bartolom('(e)), Luis; David Littlefair, Josh; Paulo, Gon(c(c))alo; LE DONNE, Andrea; Trump, Benjamin; Andreevich Yakovenko, Andrey; (z))ewski, Miros(l)aw Chor(k(a))(.; Giacomello, Alberto; Zajdel, Pawe(l); Meloni, Simone; Grosu, Yaroslav | |
| Mild-Temperature Supercritical Water Confined in Hydrophobic Metal–Organic Frameworks | 2024 | Merchiori, Sebastiano; Le Donne, Andrea; Littlefair, Josh D.; Lowe, Alexander Rowland; Yu, Jiang-Jing; Wu, Xu-Dong; Li, Mian; Li, Dan; Geppert-Rybczyńska, Monika; Scheller, Lukasz; Trump, Benjamin A.; Yakovenko, Andrey A.; Zajdel, Paweł; Chorążewski, Mirosław; Grosu, Yaroslav; Meloni, Simone | |
| Strong intramolecular hydrogen bonding in protonated β-methylaminoalanine: a vibrational spectroscopic and computational study | 2019 | Linford, Bryan D; Le Donne, Andrea; Scuderi, Debora; Bodo, Enrico; Fridgen, Travis D | |
| Structural features of cholinium based protic ionic liquids through molecular dynamics | 2019 | Le Donne, Andrea; Adenusi, Henry; Porcelli, Francesco; Bodo, Enrico | |
| Triboelectrification During Water Intrusion–Extrusion into‐from Hydrophobic Nanopores | 2024 | Bartolomé, Luis; Littlefair, Josh David; Amayuelas, Eder; Johnson, Liam J. W.; Le Donne, Andrea; Šutka, Andris; Meloni, Simone; Grosu, Yaroslav | |
| Tuning the Wettability of Hydrophobic Metal–Organic Frameworks by Linker-Doping | 2026 | Caporale, Davide; Moreno-Rodríguez, Daniel; Le Donne, Andrea; Amayuelas, Eder; Bartolomé, Luis; Gourmand, Cléophée; López, Gabriel Alejandro; Gómez, Kerman; López Del Amo, Juan Miguel; Tinti, Antonio; Merchiori, Sebastiano; Giacomello, Alberto; Meloni, Simone; Grosu, Yaroslav |