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Charge Spreading in Deep Eutectic Solvents

Chemphyschem, 2016-11, Vol.17 (21), p.3354-3358

2016

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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

The Journal of chemical physics, 2010-03, Vol.132 (12), p.124506-124506-13

2010

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Assessment of Kohn―Sham density functional theory and Moller―Plesset perturbation theory for ionic liquids

Physical chemistry chemical physics : PCCP, 2013-08, Vol.15 (32), p.13664-13675

2013

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Deep eutectic solvents: similia similibus solvuntur?

Physical chemistry chemical physics : PCCP, 2017-02, Vol.19 (5), p.4041-4047

Zahn, Stefan

2017

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Intermolecular Forces in an Ionic Liquid ([Mmim][Cl]) versus Those in a Typical Salt (NaCl)

Angewandte Chemie (International ed.), 2008-04, Vol.47 (19), p.3639-3641

2008

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Depolarization of water in protic ionic liquids

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (33), p.15083-15093

2011

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Cobalt Boryl Complexes: Enabling and Exploiting Migratory Insertion in Base-Metal-Mediated Borylation

Angewandte Chemie (International ed.), 2015-08, Vol.54 (33), p.9586-9590

International ed. in English, 2015

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Efficient Molecular Dynamics Simulations of Deep Eutectic Solvents with First-Principles Accuracy Using Machine Learning Interatomic Potentials

Journal of chemical theory and computation, 2023-12, Vol.19 (23), p.8732-8742

2023

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Molecular Features of Reline and Homologous Deep Eutectic Solvents Contributing to Nonideal Mixing Behavior

The journal of physical chemistry. B, 2020-09, Vol.124 (35), p.7586-7597

2020

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Ion Correlation in Choline Chloride–Urea Deep Eutectic Solvent (Reline) from Polarizable Molecular Dynamics Simulations

The journal of physical chemistry. B, 2022-05, Vol.126 (18), p.3439-3449

2022

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Locality and Fluctuations: Trends in Imidazolium-Based Ionic Liquids and Beyond

Journal of chemical theory and computation, 2011-10, Vol.7 (10), p.3040-3044

2011

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Radiation-Induced Graft Immobilization (RIGI): Covalent Binding of Non-Vinyl Compounds on Polymer Membranes

Polymers, 2021-06, Vol.13 (11), p.1849

2021

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Immobilization of Bi2WO6 on Polymer Membranes for Photocatalytic Removal of Micropollutants from Water – A Stable and Visible Light Active Alternative

Global challenges, 2024-03, Vol.8 (3), p.2300198-n/a

2024

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Understanding ionic liquids from theoretical methods

Journal of molecular liquids, 2014-04, Vol.192, p.71-76

2014

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Hydrophilic Ionic Liquid Mixtures of Weakly and Strongly Coordinating Anions with and without Water

ACS omega, 2018-08, Vol.3 (8), p.8567-8582

2018

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Nitrile-Functionalized Pyridinium, Pyrrolidinium, and Piperidinium Ionic Liquids

The journal of physical chemistry. B, 2011-07, Vol.115 (26), p.8424-8438

2011

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Deep eutectic solvents: similia similibus solvuntur?Electronic supplementary information (ESI) available: The cluster displacement function of a classical molecular dynamics simulation and the NCh-C-C-OCh dihedral angle distribution of choline. See DOI: 10.1039/c6cp08017k

Zahn, Stefan

2017-02

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Addressing Methionine in Molecular Design through Directed Sulfur–Halogen Bonds

Journal of chemical theory and computation, 2011-07, Vol.7 (7), p.2307-2315

2011

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Towards Allosteric Receptors: Adjustment of the Rotation Barrier of 2,2′-Bipyridine Derivatives

Chemistry : a European journal, 2009-03, Vol.15 (11), p.2572-2580

2009

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Characterization of Alternatively Spliced Transcript Variants of CLEC2D Gene

The Journal of biological chemistry, 2010-11, Vol.285 (46), p.36207-36215

2010

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Antifibrotic effects of a tissue inhibitor of metalloproteinase‐1 antibody on established liver fibrosis in rats

Hepatology (Baltimore, Md.), 2004-11, Vol.40 (5), p.1106-1115

2004

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Validation of Dispersion-Corrected Density Functional Theory Approaches for Ionic Liquid Systems

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-09, Vol.112 (36), p.8430-8435

2008

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Electrical conductivity and glass formation in nitrile-functionalized pyrrolidinium bis(trifluoromethylsulfonyl)imide ionic liquids: chain length and odd-even effects of the alkyl spacer between the pyrrolidinium ring and the nitrile group

Physical chemistry chemical physics : PCCP, 2014-01, Vol.16 (22), p.1548-1557

2014

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Estimating the Hydrogen Bond Energy

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-09, Vol.114 (35), p.9529-9536

2010

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Order in the chaos: the secret of the large negative entropy of dissolving 1-alkyl-3-methylimidazolium chloride in trihexyltetradecylphosphonium chloride

Physical chemistry chemical physics : PCCP, 2015-02, Vol.17 (6), p.4034-4037

2015

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Charge Spreading in Deep Eutectic Solvents

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

Assessment of Kohn―Sham density functional theory and Moller―Plesset perturbation theory for ionic liquids

Deep eutectic solvents: similia similibus solvuntur?

Intermolecular Forces in an Ionic Liquid ([Mmim][Cl]) versus Those in a Typical Salt (NaCl)

Depolarization of water in protic ionic liquids

Cobalt Boryl Complexes: Enabling and Exploiting Migratory Insertion in Base-Metal-Mediated Borylation

Efficient Molecular Dynamics Simulations of Deep Eutectic Solvents with First-Principles Accuracy Using Machine Learning Interatomic Potentials

Molecular Features of Reline and Homologous Deep Eutectic Solvents Contributing to Nonideal Mixing Behavior

Ion Correlation in Choline Chloride–Urea Deep Eutectic Solvent (Reline) from Polarizable Molecular Dynamics Simulations

Locality and Fluctuations: Trends in Imidazolium-Based Ionic Liquids and Beyond

Radiation-Induced Graft Immobilization (RIGI): Covalent Binding of Non-Vinyl Compounds on Polymer Membranes

Immobilization of Bi2WO6 on Polymer Membranes for Photocatalytic Removal of Micropollutants from Water – A Stable and Visible Light Active Alternative

Understanding ionic liquids from theoretical methods

Hydrophilic Ionic Liquid Mixtures of Weakly and Strongly Coordinating Anions with and without Water

Nitrile-Functionalized Pyridinium, Pyrrolidinium, and Piperidinium Ionic Liquids

Deep eutectic solvents: similia similibus solvuntur?Electronic supplementary information (ESI) available: The cluster displacement function of a classical molecular dynamics simulation and the NCh-C-C-OCh dihedral angle distribution of choline. See DOI: 10.1039/c6cp08017k

Addressing Methionine in Molecular Design through Directed Sulfur–Halogen Bonds

Towards Allosteric Receptors: Adjustment of the Rotation Barrier of 2,2′-Bipyridine Derivatives

Characterization of Alternatively Spliced Transcript Variants of CLEC2D Gene

Antifibrotic effects of a tissue inhibitor of metalloproteinase‐1 antibody on established liver fibrosis in rats

Validation of Dispersion-Corrected Density Functional Theory Approaches for Ionic Liquid Systems

Electrical conductivity and glass formation in nitrile-functionalized pyrrolidinium bis(trifluoromethylsulfonyl)imide ionic liquids: chain length and odd-even effects of the alkyl spacer between the pyrrolidinium ring and the nitrile group

Estimating the Hydrogen Bond Energy

Order in the chaos: the secret of the large negative entropy of dissolving 1-alkyl-3-methylimidazolium chloride in trihexyltetradecylphosphonium chloride

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