Search Results - "Schmidt, J"

Oxygen Evolution ReactionThe Enigma in Water Electrolysis by Fabbri, Emiliana, Schmidt, Thomas J

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Sex differences and the neurobiology of affective disorders by Rubinow, David R, Schmidt, Peter J

“…Observations of the disproportionate incidence of depression in women compared with men have long preceded the recent explosion of interest in sex differences…”
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In Situ, Time-Resolved, and Mechanistic Studies of Metal–Organic Framework Nucleation and Growth by Van Vleet, Mary J, Weng, Tingting, Li, Xinyi, Schmidt, J.R

“…The vast chemical and structural diversity of metal–organic frameworks (MOFs) opens up the exciting possibility of “crystal engineering” MOFs tailored for…”
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Origins of Acid-Gas Stability Behavior in Zeolitic Imidazolate Frameworks: The Unique High Stability of ZIF-71 by Cui, Kai, Bhattacharyya, Souryadeep, Nair, Sankar, Schmidt, J. R

“…Zeolitic imidazolate frameworks (ZIFs) are promising materials for industrial process separations, but recent literature reports have highlighted their…”
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Metal‐Organic Frameworks in Polymer Science: Polymerization Catalysis, Polymerization Environment, and Hybrid Materials by Schmidt, Bernhard V. K. J.

“…The development of metal‐organic frameworks (MOFs) has had a significant impact on various fields of chemistry and materials science. Naturally, polymer…”
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Computational Characterization of Defects in Metal–Organic Frameworks: Spontaneous and Water-Induced Point Defects in ZIF‑8 by Zhang, Chenyang, Han, Chu, Sholl, David S, Schmidt, J. R

“…Zeolitic imidazolate frameworks (ZIFs) are an important class of porous crystalline metal–organic framework (MOF) materials that have attracted widespread…”
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Silymarin as Supportive Treatment in Liver Diseases: A Narrative Review by Gillessen, Anton, Schmidt, Hartmut H.-J.

“…Silymarin, an extract from milk thistle seeds, has been used for centuries to treat hepatic conditions. Preclinical data indicate that silymarin can reduce…”
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Generalization of Natural Bond Orbital Analysis to Periodic Systems: Applications to Solids and Surfaces via Plane-Wave Density Functional Theory by Dunnington, Benjamin D, Schmidt, J. R

“…Natural bond orbital (NBO) analysis is a powerful analysis technique capable of generating intuitive chemical representations of otherwise complex quantum…”
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Flexible and Transferable ab Initio Force Field for Zeolitic Imidazolate Frameworks: ZIF-FF by Weng, Tingting, Schmidt, J. R

“…We have developed a transferable ab initio intramolecular force field for zeolitic imidazolate frameworks (ZIFs), “ZIF-FF”, that is capable of quantitatively…”
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Three‐Phase Photocatalysis for the Enhanced Selectivity and Activity of CO2 Reduction on a Hydrophobic Surface by Li, Ang, Cao, Qian, Zhou, Guangye, Schmidt, Bernhard V. K. J., Zhu, Wenjin, Yuan, Xintong, Huo, Hailing, Gong, Jinlong, Antonietti, Markus

“…The photocatalytic CO2 reduction reaction (CRR) represents a promising route for the clean utilization of stranded renewable resources, but poor selectivity…”
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Single-photon transistor mediated by interstate Rydberg interactions by Gorniaczyk, H, Tresp, C, Schmidt, J, Fedder, H, Hofferberth, S

“…We report on the realization of an all-optical transistor by mapping gate and source photons into strongly interacting Rydberg excitations with different…”
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Perovskite Oxide Based Electrodes for the Oxygen Reduction and Evolution Reactions: The Underlying Mechanism by Beall, Casey E, Fabbri, Emiliana, Schmidt, Thomas J

“…One hindrance to the development of fuel cells and electrolyzers are the oxygen electrodes, which suffer from high overpotentials and slow kinetics. Perovskite…”
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Electrocatalysis for Polymer Electrolyte Fuel Cells: Recent Achievements and Future Challenges by Rabis, Annett, Rodriguez, Paramaconi, Schmidt, Thomas J

“…Fuel cell technology is currently shifting very fast from fundamental research to real development. In addition to other aspects, this transition is possible…”
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Influence of Charge Scaling on the Solvation Properties of Ionic Liquid Solutions by Cui, Kai, Yethiraj, Arun, Schmidt, J. R

“…Scaled-charge force fields (FFs) are widely employed in the simulation of neat ionic liquids (ILs), where the charges on the ions are empirically scaled to…”
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Molecules Editorial: Greetings from the Editor-in-Chief by Schmidt, Thomas J.

“…Dear readers, authors, reviewers, editors, coworkers and staff of Molecules, [...]…”
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Fate of the Amplitude Mode in a Trapped Dipolar Supersolid by Hertkorn, J., Böttcher, F., Guo, M., Schmidt, J. N., Langen, T., Büchler, H. P., Pfau, T.

“…We theoretically investigate the spectrum of elementary excitations of a trapped dipolar quantum gas across the BEC-supersolid phase transition. Our…”
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Electrocatalytic Production of H2O2 by Selective Oxygen Reduction Using Earth-Abundant Cobalt Pyrite (CoS2) by Sheng, Hongyuan, Hermes, Eric D, Yang, Xiaohua, Ying, Diwen, Janes, Aurora N, Li, Wenjie, Schmidt, J. R, Jin, Song

“…Decentralized on-site production of hydrogen peroxide (H2O2) relies on efficient, robust, and inexpensive electrocatalysts for the selective two-electron (2e–)…”
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Enabling Efficient and Accurate Computational Studies of MOF Reactivity via QM/MM and QM/QM Methods by Cui, Kai, Schmidt, J. R

“…Electronic structure calculations can provide unique insight into metal–organic framework (MOF) reactivity and defect formation. Such calculations can be…”
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Analysis of alternative policy instruments to promote electric vehicles in Austria by Gass, V., Schmidt, J., Schmid, E.

“…The large amount of CO2 emissions and of fossil fuel consumption caused by the transportation sector makes the sector central for attaining the EU energy and…”
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Transferable Next-Generation Force Fields from Simple Liquids to Complex Materials by Schmidt, J. R, Yu, Kuang, McDaniel, Jesse G

“…Conspectus Molecular simulations have had a transformative impact on chemists’ understanding of the structure and dynamics of molecular systems. Simulations…”
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