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Outer-Sphere Control of Catalysis on Surfaces: A Comparative Study of Ti(IV) Single-Sites Grafted on Amorphous versus Crystalline Silicates for Alkene Epoxidation

Journal of the American Chemical Society, 2018-04, Vol.140 (15), p.4956-4960

2018

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Proteins in Ionic Liquids: Current Status of Experiments and Simulations

Topics in current chemistry (2016), 2017-04, Vol.375 (2), p.25, Article 25

Schröder, Christian

2017

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Comparing reduced partial charge models with polarizable simulations of ionic liquids

Physical chemistry chemical physics : PCCP, 2012-03, Vol.14 (9), p.3089-3102

SCHRODER, Christian

2012

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Surface-active ionic liquids: A review

Journal of molecular liquids, 2022-02, Vol.347, p.118160, Article 118160

2022

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Fe(III):S(-II) concentration ratio controls the pathway and the kinetics of pyrite formation during sulfidation of ferric hydroxides

Geochimica et cosmochimica acta, 2017-11, Vol.217, p.334-348

2017

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Polarizable molecular dynamics simulations on the conductivity of pure 1-methylimidazolium acetate systems

Physical chemistry chemical physics : PCCP, 2022-06, Vol.24 (25), p.15245-15254

2022

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Spatial Proximities between Brønsted Acid Sites, AlOH Groups, and Residual NH4 + Cations in Zeolites Mordenite and Ferrierite

Journal of physical chemistry. C, 2023-01, Vol.127 (1), p.736-745

2023

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Balanced truncation model reduction with a priori error bounds for LTI systems with nonzero initial value

Journal of computational and applied mathematics, 2023-03, Vol.420, p.114708, Article 114708

2023

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Schwertmannite stability in anoxic Fe(II)-rich aqueous solution

Geochimica et cosmochimica acta, 2017-11, Vol.217, p.292-305

2017

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Quantum mechanical determination of atomic polarizabilities of ionic liquids

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (16), p.10992-10996

2018

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Rheo-NMR of the secondary flow of non-Newtonian fluids in square ducts

Physical review letters, 2011-01, Vol.106 (4), p.046001-046001, Article 046001

2011

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Unsaturated rock mechanics applied to a low-porosity shale

Engineering geology, 2008-03, Vol.97 (1), p.42-52

2008

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Hydrothermal origin of halogens at Home Plate, Gusev Crater

Journal of Geophysical Research - Planets, 2008-06, Vol.113 (E6), p.E06S12-n/a

2008

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Molecular Dynamics Simulations of Ionic Liquids and Electrolytes Using Polarizable Force Fields

Chemical reviews, 2019-07, Vol.119 (13), p.7940-7995

2019

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Emulating proton transfer reactions in the pseudo-protic ionic liquid 1-methylimidazolium acetate

Physical chemistry chemical physics : PCCP, 2022-04, Vol.24 (16), p.9277-9285

2022

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Ultrastabilization of Zeolite Y Transforms Brønsted–Brønsted Acid Pairs into Brønsted–Lewis Acid Pairs

Angewandte Chemie International Edition, 2018-10, Vol.57 (43), p.14281-14285

International ed. in English, 2018

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Simulating polarizable molecular ionic liquids with Drude oscillators

The Journal of chemical physics, 2010-10, Vol.133 (15), p.154511-154511-13

2010

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Collective Spectroscopy of Solvation Phenomena: Conflicts, Challenges, and Opportunities

The journal of physical chemistry letters, 2023-01, Vol.14 (3), p.609-618

2023

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Polarizability in ionic liquid simulations causes hidden breakdown of linear response theory

Physical chemistry chemical physics : PCCP, 2019-01, Vol.21 (3), p.1023-1028

2019

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Polarizable molecular dynamics simulations of ionic liquids: Influence of temperature control

The Journal of chemical physics, 2020-03, Vol.152 (9), p.094105-094105

2020

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Collective translational motions and cage relaxations in molecular ionic liquids

The Journal of chemical physics, 2011-07, Vol.135 (2), p.024502-024502-11

Schröder, Christian

2011

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Hydrogen Bond Formation of Brønsted Acid Sites in Zeolites

Chemistry of materials, 2020-02, Vol.32 (4), p.1564-1574

2020

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Disentangling Brønsted Acid Sites and Hydrogen-Bonded Silanol Groups in High-Silica Zeolite H‑ZSM‑5

Journal of physical chemistry. C, 2020-10, Vol.124 (42), p.23380-23386

2020

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On the behavior of suction buckets in sand under tensile loads

Computers and geotechnics, 2014-07, Vol.60, p.88-100

2014

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Computational solvation dynamics of oxyquinolinium betaine linked to trehalose

The Journal of chemical physics, 2016-10, Vol.145 (16), p.164507-164507

2016

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Outer-Sphere Control of Catalysis on Surfaces: A Comparative Study of Ti(IV) Single-Sites Grafted on Amorphous versus Crystalline Silicates for Alkene Epoxidation

Proteins in Ionic Liquids: Current Status of Experiments and Simulations

Comparing reduced partial charge models with polarizable simulations of ionic liquids

Surface-active ionic liquids: A review

Fe(III):S(-II) concentration ratio controls the pathway and the kinetics of pyrite formation during sulfidation of ferric hydroxides

Polarizable molecular dynamics simulations on the conductivity of pure 1-methylimidazolium acetate systems

Spatial Proximities between Brønsted Acid Sites, AlOH Groups, and Residual NH4 + Cations in Zeolites Mordenite and Ferrierite

Balanced truncation model reduction with a priori error bounds for LTI systems with nonzero initial value

Schwertmannite stability in anoxic Fe(II)-rich aqueous solution

Quantum mechanical determination of atomic polarizabilities of ionic liquids

Rheo-NMR of the secondary flow of non-Newtonian fluids in square ducts

Unsaturated rock mechanics applied to a low-porosity shale

Hydrothermal origin of halogens at Home Plate, Gusev Crater

Molecular Dynamics Simulations of Ionic Liquids and Electrolytes Using Polarizable Force Fields

Emulating proton transfer reactions in the pseudo-protic ionic liquid 1-methylimidazolium acetate

Ultrastabilization of Zeolite Y Transforms Brønsted–Brønsted Acid Pairs into Brønsted–Lewis Acid Pairs

Simulating polarizable molecular ionic liquids with Drude oscillators

Collective Spectroscopy of Solvation Phenomena: Conflicts, Challenges, and Opportunities

Polarizability in ionic liquid simulations causes hidden breakdown of linear response theory

Polarizable molecular dynamics simulations of ionic liquids: Influence of temperature control

Collective translational motions and cage relaxations in molecular ionic liquids

Hydrogen Bond Formation of Brønsted Acid Sites in Zeolites

Disentangling Brønsted Acid Sites and Hydrogen-Bonded Silanol Groups in High-Silica Zeolite H‑ZSM‑5

On the behavior of suction buckets in sand under tensile loads

Computational solvation dynamics of oxyquinolinium betaine linked to trehalose

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