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Chemistry

11,748 studies1,099 in 7 days5,210 in 30 days

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11,748 studies

  1. Toward the Synthesis of Verteporfin from Hemin and Protoporphyrin IX
    Bastien Mathieu, Arthur Vasseur
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  2. Data-Driven Analysis of C–F Bond Lengths in Two-Dimensional Fluorinated Carbon Materials
    Tosapol Maluangnont
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  3. Metal-Organic Frameworks as Single-Particle Contrast Agents for Localization Optoacoustic Tomography
    Manuel Ceballos, Lin Tang, Ester Polo +4
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  4. Ensemble RMSD-Driven Metadynamics for Electrolyte-Reduction Pathway Discovery
    Adil Aboobacker, Andreas Heuer, Diddo Diddens
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  5. Machine Learning-Guided Design of Cu-Based Single-Atom Alloy Nanoclusters for Selective CO2 Electroreduction
    Luyuan Wang, Jielin Chen, Wenjie Du +5
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  6. Czochralski Growth of YSGAG Crystals: Experimental, Numerical, and Data-Assisted Analysis of Solid–Liquid Interface Shape
    Kunal Meshram, Dorota Pulmannová, Roberts Blukis +3
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  7. Predicting Regulator-Listed N-Nitrosamines from API Structure: A Rule-Based Method with a Retrospectively Corrected FDA and EMA Evaluation
    Prashant D. Kotian
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  8. Polymer interface-driven perovskite crystallization in electrospun fibers
    Mia Klopfenstein, Shlok Joseph Paul, Arnold Wijoyo +5
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  9. Visible Light Enables NHC–Nickel-Mediated Carbonyl Deletion from Carboxamides
    Daniel Akuamoah, Manana Tsiskarishvili, William Brennessel +2
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  10. New Oxygen Sensor with Polyaniline Spin Probe and Low Frequency EPR (L-Band) Detection System
    Mikołaj Baranowski, Sebastian Golczak, Jerzy J. Langer
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  11. Hybrid Joining Technologies for Composites: Mechanisms, Performance, Challenges, and Perspectives
    Irfan Nazir Wani, Jogendra Kumar, Pulak Gupta
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  12. Computational Exploration of Dopamine Adsorption on Carbon Nanotubes for Electrochemical Sensing
    Saara Sippola, Matilda Laurila, Mandira Das +4
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  13. Comparative Analysis of Basic Machine Learning and Rigorous Free-Energy Calculation on Benchmarking Datasets of Protein-Ligand Binding Affinity
    Stefan J. P. Chrin, Gregory A. Landrum, Sereina Riniker
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  14. Dynamics of oxygen and hydrogen species at the surface Ru/Al ₂ O ₃ revealed by advanced operando spectroscopies
    Paolo Lazzarini, Alberto Ricchebuono, Daniele Bonavia +11
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  15. A spectral law for blackbody radiation without temperature or Planck’s constant
    Abdennour Abbas
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  16. Anisotropic Strain Enhances Oxygen Reduction Catalysis in Pt-Based High-Entropy Intermetallics
    Nicolas Schlegel, Martin L. Lundquist, Juan J. Q. González +18
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  17. Breaking Linear Scaling Relations for Regioselective Phenol Hydroxylation via SiC-Supported Dual-Atom Catalysts
    Wenjun Tang, Yinghui Xia, Luyuan Wang +4
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  18. Spatial Inhomogeneity of Thermal Degradation of Semi-Crystalline Polymers
    Takumitsu Kida, Hiroki Takeshita, Katsuhisa Tokumitsu
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  19. Benchmarking a fast energy model for predicting the stability of solvated surface sites for organic molecular crystals: The paracetamol–water interface
    Alvin J. Walisinghe, Blake I. Armstrong, Peter R. Spackman +2
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  20. Enhancing Interfacial Exciton Conversion in Blue Upconversion OLEDs through Oligomer-Controlled Molecular Orientation
    Hiroto Iwasaki, Naoya Aizawa, Kenichiro Omoto +6
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  21. Helicene-Blade Molecular Propellers
    Ji-Kun Li, Xing-Yu Chen, Xiao-Ye Wang
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  22. Beyond Atom Pairs: Multicenter Crystal Orbital Hamilton Populations for Molecules and Solids
    YiXu Wang, Peter C. Müller, Hanyu Xu +2
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  23. Targeted Covalent Inhibition of Pyk2 via a Paralog-Specific Cysteine for Selective Antiplatelet Action
    Kayla A. Williams, Joanna S. T. Liu, Renata C. Sawyer +13
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  24. Transfer learning on universal interatomic potential embeddings improves generalization in structure-property defect models
    Matthew D. Witman, Sebastian Pujet, Andrew J. E. Rowberg +4
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  25. Data-driven discovery and substrate scope mapping of dual-ligand nickel catalysts for C(sp2)–C(sp3) cross-electrophile coupling
    Oleg Borodin, Sonia Matas Montalvo, Emilio Dorigatti +4
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv