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1
Charge Spreading in Deep Eutectic Solvents
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Charge Spreading in Deep Eutectic Solvents

Zahn, Stefan ; Kirchner, Barbara ; Mollenhauer, Doreen

Chemphyschem, 2016-11, Vol.17 (21), p.3354-3358 [Periódico revisado por pares]

Germany: Blackwell Publishing Ltd

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On the origin of ionicity in ionic liquids. Ion pairing versus charge transfer
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On the origin of ionicity in ionic liquids. Ion pairing versus charge transfer

Hollóczki, Oldamur ; Malberg, Friedrich ; Welton, Tom ; Kirchner, Barbara

Physical chemistry chemical physics : PCCP, 2014-08, Vol.16 (32), p.16880-16890 [Periódico revisado por pares]

England

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3
Performance of dispersion-corrected density functional theory for the interactions in ionic liquids
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Performance of dispersion-corrected density functional theory for the interactions in ionic liquids

Grimme, Stefan ; Hujo, Waldemar ; Kirchner, Barbara

Physical chemistry chemical physics : PCCP, 2012-04, Vol.14 (14), p.4875-4883 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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4
Computing vibrational spectra from ab initio molecular dynamics
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Computing vibrational spectra from ab initio molecular dynamics

Thomas, Martin ; Brehm, Martin ; Fligg, Reinhold ; Vöhringer, Peter ; Kirchner, Barbara

Physical chemistry chemical physics : PCCP, 2013-05, Vol.15 (18), p.668-6622 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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5
Domain Analysis in Nanostructured Liquids: A Post-Molecular Dynamics Study at the Example of Ionic Liquids
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Domain Analysis in Nanostructured Liquids: A Post-Molecular Dynamics Study at the Example of Ionic Liquids

Brehm, Martin ; Weber, Henry ; Thomas, Martin ; Hollóczki, Oldamur ; Kirchner, Barbara

Chemphyschem, 2015-10, Vol.16 (15), p.3271-3277 [Periódico revisado por pares]

Germany: Blackwell Publishing Ltd

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6
Structure and dynamics of the protic ionic liquid monomethylammonium nitrate ( [ CH 3 NH 3 ] [ NO 3 ] ) from ab initio molecular dynamics simulations
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Structure and dynamics of the protic ionic liquid monomethylammonium nitrate ( [ CH 3 NH 3 ] [ NO 3 ] ) from ab initio molecular dynamics simulations

Zahn, Stefan ; Thar, Jens ; Kirchner, Barbara

The Journal of chemical physics, 2010-03, Vol.132 (12), p.124506-124506-13 [Periódico revisado por pares]

United States: American Institute of Physics

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7
Triphilic Ionic-Liquid Mixtures: Fluorinated and Non-fluorinated Aprotic Ionic-Liquid Mixtures
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Triphilic Ionic-Liquid Mixtures: Fluorinated and Non-fluorinated Aprotic Ionic-Liquid Mixtures

Hollóczki, Oldamur ; Macchiagodena, Marina ; Weber, Henry ; Thomas, Martin ; Brehm, Martin ; Stark, Annegret ; Russina, Olga ; Triolo, Alessandro ; Kirchner, Barbara

Chemphyschem, 2015-10, Vol.16 (15), p.3325-3333 [Periódico revisado por pares]

Germany: Blackwell Publishing Ltd

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8
Side chain fluorination and anion effect on the structure of 1-butyl-3-methylimidazolium ionic liquids
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Side chain fluorination and anion effect on the structure of 1-butyl-3-methylimidazolium ionic liquids

Weber, Henry ; Hollóczki, Oldamur ; Pensado, Alfonso S ; Kirchner, Barbara

The Journal of chemical physics, 2013-08, Vol.139 (8), p.084502-084502 [Periódico revisado por pares]

United States

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9
Effect of an external electric field on the dynamics and intramolecular structures of ions in an ionic liquid
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Effect of an external electric field on the dynamics and intramolecular structures of ions in an ionic liquid

Clark, Ryan ; von Domaros, Michael ; McIntosh, Alastair J. S. ; Luzar, Alenka ; Kirchner, Barbara ; Welton, Tom

The Journal of chemical physics, 2019-10, Vol.151 (16), p.164503-164503 [Periódico revisado por pares]

Melville: American Institute of Physics

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10
On the ideality of binary mixtures of ionic liquids
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On the ideality of binary mixtures of ionic liquids

BRÜSSEL, Marc ; BREHM, Martin ; PENSADO, Alfonso S ; MALBERG, Friedrich ; RAMZAN, Muhammad ; STARK, Annegret ; KIRCHNER, Barbara

Physical chemistry chemical physics : PCCP, 2012-10, Vol.14 (38), p.13204-13215 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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