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Chemistry

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11,477 studies

  1. Excited-state dynamics and photo-reaction pathways of 4-nitrothiophenol in solution investigated by time-resolved soft X-ray absorption spectroscopy
    Leo Cordsmeier, Nicolas Jahn, Wagner Ribeiro da Silva Neto +10
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  2. Aggregation-Driven Self-Inhibition of Grignard Reagents: Insights from DFT and Microkinetic Modeling
    Jérémy Leroy, Ludmilla Verrieux, Christophe Boisson +2
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  3. Drying, ageing and reducibility of Ru catalysts obtained via deposition-precipitation: the hidden role of water
    Paolo Lazzarini, Elena Seminerio, Alberto Ricchebuono +9
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  4. X-Ray Diffraction Model for Spiral-Growth-Driven Defects in Layered Thin Films
    Debismita Dutta, Roger W. Whatmore, Tigran Simonian +3
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  5. Publication-block calibration reveals wide uncertainty in PLGA release endpoint prediction
    Shereen Anand
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  6. Computational Modeling of Electrolytes and the Solid–Electrolyte Interphase (SEI) in Li-Ion Batteries: A 30-Year Odyssey from DFT/MD/MC to AI–A Comprehensive Review
    Ilya V. Chepkasov, Alexey S. Galushko, Viktor S. Baidyshev +3
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  7. Tumour accumulation is not tumour-to-liver selectivity: a publication-aware polymer nanoparticle reanalysis
    Shereen Anand
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  8. Site-preference engineering of cobalt active-site ensembles in spinel oxides for oxygen evolution
    Zhixin Che, Cao Wang, Hongxu Lu +1
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  9. Suppression of Singlet Fission in a DPH dimer by a polar solvent
    Sree Chithra, Jeannine Grüne, Stephanie Montanaro +5
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  10. AI Literacy among Undergraduate Chemistry Students from a Social Cognitive Perspective
    Lijuan Chen, Hanhui Yin, Xiaoge Chen +1
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  11. In Silico Design and Structural Validation ofEpitope-Based Vaccine Candidates Against Feline Calicivirus using Immunoinformatics
    Advent Roan Widiyono, Albert Ridwan, Akash Kumar +4
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  12. Vibronic Absorption and Circular Dichroism Spectra of Chiral PDI Aggregates in Free Space and Optical Cavities
    Yuchuan Xu, Xunkun Huang, WanZhen Liang
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  13. Physics-Guided Learning with Calibrated Uncertainty for Molecular Thermodynamics Beyond Observed Chemical Space
    Yi-Cheng Shen, Shu Wang, Shiang-Tai Lin
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  14. Competing Circular-Economy Uses of Oyster Shell Waste: Uncertainty-Aware Life-Cycle Allocation Between Reef Restoration and Low-Carbon Construction
    Leon Sandler
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  15. Comparative study of the load-bearing and deformation behaviors of metal mesh and polymer thin spray-on liner surface supports in mining roadways
    Han Liang, Kangdong Shi, Yunjing Shi +4
    PLOS OnePeer-reviewedCC BY 4.0Full textMaterials & polymersPLOSPMC
  16. Assessment of Pleurotus ostreatus and Pleurotus citrinopileatus mushroom as bioshielding materials for neutron attenuation in medical cyclotron
    Md. Jahid Hasan, Md. Nahid Hossain, Hasan Mehdi +4
    PLOS OnePeer-reviewedCC BY 4.0Full textGeneral chemistryPLOSPMC
  17. Development and internal validation of machine learning models for predicting prediabetes in China
    Zhengxin Jiang, Wen Qian, Haifang Yang +4
    PLOS OnePeer-reviewedCC BY 4.0Full textOrganic chemistryPLOSPMC
  18. Energy driven constitutive modeling of thermally damaged red sandstone under multilevel cyclic loading
    You-Liang Chen, QingLong You, Jinbo Xie +5
    PLOS OnePeer-reviewedCC BY 4.0Full textMaterials & polymersPLOSPMC
  19. Establishment of hairy root cultures of Lactuca serriola and enhancement of phenolic metabolites through methyl jasmonate elicitation
    Maisa Asheri, Alireza Farokhzad, Mohammadreza Naghavi +3
    PLOS OnePeer-reviewedCC BY 4.0Full textGeneral chemistryPLOSPMC
  20. Morphological adaptation of the root system of silver fir responding to changes of local environmental conditions
    Aleh Marozau, Ewelina Bagińska, Justyna A. Nowakowska +7
    PLOS OnePeer-reviewedCC BY 4.0Full textGeneral chemistryPLOSPMC
  21. Climate change-driven compound dust storm and heatwave extremes in Central Asia under future CMIP6 scenarios
    Parya Broomandi, Mehdi Bagheri, Nick Middleton +7
    PLOS OnePeer-reviewedCC BY 4.0Full textMaterials & polymersPLOSPMC
  22. An Improved SegRNN-Based Hierarchical Warning Method for Power Battery Thermal Runaway
    Jing Liu, Yixuan Zhou, Dunye Liao +9
    BatteriesPeer-reviewedCC BY 4.0Electrochemistry & energyCrossref
  23. Multipulse HPPC for Current-Scheduled ECM Parameterization and SoC Estimation in EV Batteries
    Yaminidhar Reddy Bhavanam, Sreedhar Madichetty, Abdelkader EL KAMEL +1
    BatteriesPeer-reviewedCC BY 4.0Electrochemistry & energyCrossref
  24. Structural Modeling and Theoretical Study of Low-Dimensional Materials
    Xiao-Chun Wang, Xilian Jin
    NanomaterialsPeer-reviewedCC BY 4.0Materials & polymersCrossref
  25. MagCluster-GMAF: A Physics-Inspired Hybrid Graph Architecture for Long-Range Magnetic Property Prediction
    Yu Zhang, Jiale Wang, Haotian Liu +3
    NanomaterialsPeer-reviewedCC BY 4.0Materials & polymersCrossref