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Chemistry

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11,517 studies

  1. Charge-Dependent Coordination and Redox Energetics of Actinide Fluoride Complexes in Molten Salts
    Grisha Bogolyubov
    arXivPreprintCC BY 4.0Full textPhysical chemistryarXiv
  2. Many Electrons, One Determinant: Hartree--Fock Theory, Basis Sets, and Molecular Integrals
    Pierre-François Loos
    arXivPreprintarXiv licenceFull textPhysical chemistryarXiv
  3. Conformer diversity over quantity in COSMO-RS-based LLE predictions
    Ilah Joos, Simon Müller, Jeriffa De Clercq +3
    arXivPreprintCC BY-NC-ND 4.0Full textPhysical chemistryarXiv
  4. When do machine-learning potentials need a configuration-dependent kernel? Learning long-range interactions with Fourier neural operators
    Wei Chen, Gian-Marco Rignanese
    arXivPreprintCC BY 4.0Full textPhysical chemistryarXiv
  5. A Pair-Weighted Reciprocal-Cost Representation of the von Weizsäcker Functional
    Megan Simons, Jonathan Washburn
    arXivPreprintCC BY-NC-ND 4.0Full textPhysical chemistryarXiv
  6. A local orchestration harness for molecular design with foundation models
    Sakib Mostafa, Md Atik Ahamed, James Zou +2
    arXivPreprintCC BY-NC-ND 4.0Full textPhysical chemistryarXiv
  7. A Simulation-Driven Digital Workflow Integrating Bayesian Optimization for Early-Stage Process Design: A Methyl Acetate Production Case Study
    Trung Ngoc Trinh, Trung Thanh Nguyen, Nikolaos Tsakoumis +1
    arXivPreprintarXiv licenceFull textPhysical chemistryarXiv
  8. Long-horizon Forecasting of Sodium-ion Battery Charge-profile Evolution and Degradation using Autoregressive Deep Sequence Models
    Xu Zhang, Florent Magaud, Mahdi Abid +3
    arXivPreprintarXiv licenceFull textPhysical chemistryarXiv
  9. Iodide-Mediated Charge Storage in Deep Eutectic Solvent Electrolytes for Nontoxic Printed Supercapacitors.
    Chirag Mevada, Aapo Kattainen, Jari Keskinen +1
    ChemSusChemPeer-reviewedCC BYFull textMaterials & polymersEurope PMCPMC
  10. Reduced-Dimensional Reaction-Space Analysis of a Trispericyclic Reaction by ReSPer.
    Takuro Tsutsumi, Akifumi Fujita, Yuriko Ono +1
    Journal of computational chemistryPeer-reviewedCC BYFull textOrganic chemistryEurope PMCPMC
  11. Seasonal hypoxia and nitrate depletion in water chestnut (Trapa natans) beds: Implications for nitrogen cycling.
    Wade Simmons, Bernd Blossey, Michael Todd Walter
    Journal of environmental qualityPeer-reviewedCC BYFull textEnvironmental chemistryEurope PMCPMC
  12. Biosynthesis of selenium nanoparticles with orange peel waste in microwave: characterization, and spectral properties
    Tainá Pereira da Silva Oliveira, Alan Kelbis Oliveira Lima, Talita Pereira Gonçalves +9
    3 BiotechPeer-reviewedCC BYFull textMaterials & polymersEurope PMCPMC
  13. Oleuropein and punicic acid induce oxidative stress and cytotoxicity in MCF-7 breast cancer cells, with protection by peroxiredoxin antioxidant proteins
    Samantha Diiorio, Braden Quitmeyer, Shelley A. Phelan
    Molecular Biology ReportsPeer-reviewedCC BY 4.0Full textOrganic chemistryPMC
  14. A split nozzle and two-protein chain-like fibers define the tail architecture of Pseudomonas aeruginosa podophage A1002
    Hao Pang, Yuan Chen, Zeng Peng +6
    PLOS BiologyPeer-reviewedCC BYFull textMaterials & polymersPLOSEurope PMCPMC
  15. A deep genetic structure phylogenomically frames the closest algal relatives of land plants
    Maaike J. Bierenbroodspot, Cäcilia F. Kunz, Elisa S. Goldbecker +5
    PLOS BiologyPeer-reviewedCC BYFull text5 citedOrganic chemistryPLOSEurope PMCPMCOpenAlex
  16. State-Adaptive and Tail-Risk-Aware Rolling Control of Wind–Solar–VRFB Systems with Experimentally Calibrated Power Envelopes
    Yuanfa Cen, Ming Gao, Baichi Ou +2
    BatteriesPeer-reviewedCC BY 4.0Electrochemistry & energyCrossref
  17. Critical Challenges and Recent Advances Toward Practical Room-Temperature Sodium–Sulfur Batteries
    Zhijiang Su, Simeng Tian, Xuechao Yang +6
    BatteriesPeer-reviewedCC BY 4.0Electrochemistry & energyCrossref
  18. Capacity and SOH Prediction of Lithium-Ion Batteries Using Various Mathematical Forms of EIS with Neural Networks
    Hakeem Thomas, Mark H. Weatherspoon
    BatteriesPeer-reviewedCC BY 4.0Electrochemistry & energyCrossref
  19. Effect of Extraction Method and Ethanol Concentration on the Antioxidant and α-Glucosidase Inhibitory Activities of Hornstedtia scyphifera var. fusiformis Shoots:LC-HRMS/MS Profiling of the Antioxidant-Optimized Extract
    Silvia Indri Yati, Rika Hartati, Irda Fidrianny
    MoleculesPeer-reviewedCC BY 4.0General chemistryCrossref
  20. Phytochemical Profile and Cosmeceutical Potential of Lotus germanicus: Antioxidant, Anti-Tyrosinase, Anti-Elastase and Antibacterial Activities of Parent Plant and In Vitro Cultures
    Marta Klimek-Szczykutowicz, Katarzyna Kulik-Siarek, Jakub Wawrzycki +4
    MoleculesPeer-reviewedCC BY 4.0General chemistryCrossref
  21. Whole-Genome Sequencing Identifies a New Aspergillus tubingensis Strain from Eremostachys isochila with Intraspecific Variation in Pharmaceutically Relevant Biosynthetic Gene Clusters
    Farkhod Eshboev, Mavjuda Kholikova, Asifullah Khan +13
    MoleculesPeer-reviewedCC BY 4.0General chemistryCrossref
  22. Turning NOx Pollutants into Green Ammonia Fuel via COF Cavity Confinement
    Marlene Bosquez, Roberto Salcedo
    MoleculesPeer-reviewedCC BY 4.0General chemistryCrossref
  23. Phytochemical Transformations of Panax notoginseng Saponins During Thermal Processing and Their Potential Implications for Iron Homeostasis Through Hepcidin-Related Pathways
    Wei Yan, Weiyou Xie, Ruolan Bai +4
    MoleculesPeer-reviewedCC BY 4.0General chemistryCrossref
  24. Remote Substrate Stereocontrol in Cooperative Enamine/Palladium Catalysis: Formal Synthesis of (±)-Solavetivone and (±)-Solanascone
    Aleksandar Jankovic, Milena Trmcic, Mathieu Chaouat +4
    MoleculesPeer-reviewedCC BY 4.0General chemistryCrossref
  25. Unmalted Rice, Wheat, and Sorghum Modulate Antioxidant Capacity, Nitrogen Metabolism, Alcohol Profile, and Sensory Quality of Craft Ale Beer
    Cesar I. Mejia-Llontop, Carlos E. Tirado-Rodríguez, Manuel E. Ascate-Pasos +5
    MoleculesPeer-reviewedCC BY 4.0General chemistryCrossref