Simulated Solvation of Organic Ions II: Study of Linear Alkylated Carboxylate Ions in Water Nanodrops and in Liquid Water. Propensity for Air/Water Interface and Convergence to Bulk Solvation Properties
Houriez, Céline, Meot-Ner (Mautner), Michael, Masella, Michel
Published in The journal of physical chemistry. B (10.09.2015)
Published in The journal of physical chemistry. B (10.09.2015)
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Journal Article
Simulated Solvation of Organic Ions: Protonated Methylamines in Water Nanodroplets. Convergence toward Bulk Properties and the Absolute Proton Solvation Enthalpy
Houriez, Céline, Meot-Ner (Mautner), Michael, Masella, Michel
Published in The journal of physical chemistry. B (12.06.2014)
Published in The journal of physical chemistry. B (12.06.2014)
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Journal Article
Organic ion association in aqueous phase and ab initio-based force fields: The case of carboxylate/ammonium salts
Houriez, Céline, Vallet, Valérie, Réal, Florent, Meot-Ner Mautner, Michael, Masella, Michel
Published in The Journal of chemical physics (28.10.2017)
Published in The Journal of chemical physics (28.10.2017)
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Journal Article
Protonated Polycyclic Aromatic Nitrogen Heterocyclics: Proton Affinities, Polarizabilities, and Atomic and Ring Charges of 1–5-Ring Ions
Maclagan, Robert G. A. R, Gronert, Scott, Meot-Ner (Mautner), Michael
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (08.01.2015)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (08.01.2015)
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Journal Article
Protonation Energies of 1–5-Ring Polycyclic Aromatic Nitrogen Heterocyclics: Comparing Experiment and Theory
Wiseman, Alexander, Sims, Lacey A, Snead, Russell, Gronert, Scott, Maclagan, Robert G. A. R, Meot-Ner (Mautner), Michael
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (08.01.2015)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (08.01.2015)
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Journal Article
What Is the Structure of the Naphthalene–Benzene Heterodimer Radical Cation? Binding Energy, Charge Delocalization, and Unexpected Charge-Transfer Interaction in Stacked Dimer and Trimer Radical Cations
Attah, Isaac K, Platt, Sean P, Meot-Ner (Mautner), Michael, El-Shall, M. Samy, Peverati, Roberto, Head-Gordon, Martin
Published in The journal of physical chemistry letters (02.04.2015)
Published in The journal of physical chemistry letters (02.04.2015)
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Journal Article
Hydrogen bonding of the naphthalene radical cation to water and methanol and attachment of the naphthalene ion to extended hydrogen bonding chains
Attah, Isaac K., Platt, Sean P., Meot-Ner (Mautner), Michael, El-Shall, M. Samy, Aziz, Saadullah G., Alyoubi, Abdulrahman O.
Published in Chemical physics letters (03.10.2014)
Published in Chemical physics letters (03.10.2014)
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Journal Article
Proton-bound dimers of nitrogen heterocyclic molecules: substituent effects on the structures and binding energies of homodimers of diazine, triazine, and fluoropyridine
Attah, Isaac K, Platt, Sean P, Meot-Ner Mautner, Michael, El-Shall, M S, Aziz, Saadullah G, Alyoubi, Abdulrahman O
Published in The Journal of chemical physics (21.03.2014)
Published in The Journal of chemical physics (21.03.2014)
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Journal Article
Ionic Hydrogen-Bond Networks and Ion Solvation. 1. An Efficient Monte Carlo/Quantum Mechanical Method for Structural Search and Energy Computations: Ammonium/Water
Zhao, Yi-Lei, Meot-Ner (Mautner), Michael, Gonzalez, Carlos
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (26.03.2009)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (26.03.2009)
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Journal Article
Substituent Effects on Noncovalent Bonds: Complexes of Ionized Benzene Derivatives with Hydrogen Cyanide
Attah, Isaac K., Hamid, Ahmed M., Meot-Ner (Mautner), Michael, El-Shall, M. S., Aziz, Saadullah G., Alyoubi, Abdulrahman O.
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (17.10.2013)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (17.10.2013)
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Journal Article
Reactions between Aromatic Hydrocarbons and Heterocycles: Covalent and Proton-Bound Dimer Cations of Benzene/Pyridine
El-Shall, M. Samy, Ibrahim, Yehia M, Alsharaeh, Edreese H, Meot-Ner (Mautner), Michael, Watson, Simon P
Published in Journal of the American Chemical Society (29.07.2009)
Published in Journal of the American Chemical Society (29.07.2009)
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Journal Article
Observation of covalent and electrostatic bonds in nitrogen-containing polycyclic ions formed by gas phase reactions of the benzene radical cation with pyrimidine
Attah, Isaac Kwame, Soliman, Abdel-Rahman, Platt, Sean P, Meot-Ner Mautner, Michael, Aziz, Saaudallah G, Samy El-Shall, M
Published in Physical chemistry chemical physics : PCCP (01.03.2017)
Published in Physical chemistry chemical physics : PCCP (01.03.2017)
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Journal Article
Stepwise Hydration of Ionized Aromatics. Energies, Structures of the Hydrated Benzene Cation, and the Mechanism of Deprotonation Reactions
Ibrahim, Yehia M, Meot-Ner, Michael, Alshraeh, Edreese H, El-Shall, M. Samy, Scheiner, Steve
Published in Journal of the American Chemical Society (18.05.2005)
Published in Journal of the American Chemical Society (18.05.2005)
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Journal Article
Mass-Selected Ion Mobility Studies of the Isomerization of the Benzene Radical Cation and Binding Energy of the Benzene Dimer Cation. Separation of Isomeric Ions by Dimer Formation
Rusyniak, Mark, Ibrahim, Yehia, Alsharaeh, Edreese, Meot-Ner (Mautne, Michael, El-Shall, M. Samy
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (25.09.2003)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (25.09.2003)
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Journal Article
Gas Phase Hydration and Deprotonation of the Cyclic C3H3 + Cation. Solvation by Acetonitrile, and Comparison with the Benzene Radical Cation
Mabrouki, Ridha, Ibrahim, Yehia, Xie, Enli, Meot-Ner, Michael, El-Shall, M. Samy
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (15.06.2006)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (15.06.2006)
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Journal Article
Associative Charge Transfer Reactions. Temperature Effects and Mechanism of the Gas-Phase Polymerization of Propene Initiated by a Benzene Radical Cation
Ibrahim, Yehia, Meot-Ner Mautner, Michael, El-Shall, M. Samy
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (13.07.2006)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (13.07.2006)
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