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Chemistry

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11,477 studies

  1. Catalytic borylation of the high-global-warming-potential refrigerant HFC-143a
    Luc A. Mauro, Anthony T. Paolo, Cristabella R. Fortna +6
    Chemical SciencePeer-reviewedCC BY 3.0Full textOrganic chemistryPMC
  2. Effect of metal substitution on polymorphism and flexibility of 1D coordination polymers
    Kyriaki Koupepidou, Asif Raza, Tao He +3
    CrystengcommPeer-reviewedCC BY 3.0Full textInorganic & organometallic chemistryPMC
  3. Surface‐State‐Driven Selectivity of Electrocatalytic Glucose Oxidation: Metallic Au, Au─OH, and CuO
    Myeonghwan Oh, Hoeun Seong, Ga Eun Jo +7
    Advanced SciencePeer-reviewedCC BY 4.0Full textCatalysisPMC
  4. Strain‐Enhanced Ultrastretchable Semiconducting Polymer Fibers for Organic Electrochemical Transistors
    Zixu Chang, Ziao Xu, Qi Tang +6
    Advanced SciencePeer-reviewedCC BY 4.0Full textMaterials & polymersPMC
  5. A Single‐Capillary Open Microfluidic Probe for Robust and Versatile Spatial Multi‐Omics Using Ambient Mass Spectrometry Imaging
    Xiangyu Zhu, Yunkai Li, Jianing Wang +8
    Advanced SciencePeer-reviewedCC BY 4.0Full textPhysical chemistryPMC
  6. Gd‐Mediated Spin‐State Modulation of Co Sites Enhances Oxygen Electrocatalysis in Zn‐Air Battery
    Yijie Shen, Yu Zhu, Tianrui Zhao +8
    Advanced SciencePeer-reviewedCC BY 4.0Full textElectrochemistry & energyPMC
  7. Piezoelectric Amino Acid Salts with Halogen‐Based Coformers Produce Exceptional Force‐Generated Voltage Output
    Krishna Hari, Shubham Vishnoi, Sarah Guerin
    Advanced SciencePeer-reviewedCC BY 4.0Full textPhysical chemistryPMC
  8. Surface Coordination‐Dependent Oxygen Evolution Pathways in Rutile IrO2
    Gahee Noh, Seong‐Sik Kim, Hyungwoo Lee +14
    Advanced SciencePeer-reviewedCC BY 4.0Full textElectrochemistry & energyPMC
  9. First-principles study of halide double perovskite Rb2GeNiCl6: a stable magnetic semiconductor for spintronic and thermoelectric applications
    Muhammad Ayaz, Bingsuo Zou, Aziz Ullah
    RSC AdvancesPeer-reviewedCC BY-NC 3.0Full textGeneral chemistryPMC
  10. Separation of no-carrier-added 88Zr from proton induced bulk yttrium target by hesperidin isolated from natural resource
    Kalpita Ghosh, Nabanita Naskar, Dibyasree Choudhury +1
    Journal of Radioanalytical and Nuclear ChemistryPeer-reviewedLicence not statedFull text9 citedInorganic & organometallic chemistryOpenAlex
  11. Broadband near-infrared emission in Tm3+-doped high-entropy (Lu,Y,Sc,Gd)2O3 crystal fibers grown by LHPG
    Liuyin Sun, Jian Liu, Xinyu Guo +5
    Journal of LuminescencePeer-reviewedCC BY-NC-ND 4.0Full textMaterials & polymersHAL
  12. Intramolecular Direct Arylation Enables Access to Diverse Photophysical Properties for π‐Expanded 1,4‐Dihydropyrrolo[3,2‐ b ]pyrroles
    Damian Kusy, Krzysztof Górski, Carmelo Naim +8
    Advanced Optical MaterialsPeer-reviewedCC BY 4.0Full textOrganic chemistryHAL
  13. Machine learning quantum data to accelerate quantum Monte Carlo
    Tong Jiang, Andrew Zhao, Shashwat Kumar +6
    arXivPreprintCC BY 4.0Full textPhysical chemistryarXiv
  14. Towards Multiscale Molecular Representation Learning through Geometry-Based Fragmentation for Polymer Property Prediction
    Makoto Takamoto, Chaitanya Sampara, Viktor Zaverkin +2
    arXivPreprintarXiv licenceFull textPhysical chemistryarXiv
  15. Direct calculation of dipole moment surfaces through second-order symmetry-adapted perturbation theory for properties
    Bartosz Tyrcha, Marcin Stachowiak, Konrad Patkowski +1
    arXivPreprintCC BY 4.0Full textPhysical chemistryarXiv
  16. Graph Symbolic Distillation: Decoding Graph Data into Interpretable Formulas across Materials and Chemistry
    Yuxuan Yao, Harald Oberhofer, Karsten Reuter +1
    arXivPreprintCC BY 4.0Full textPhysical chemistryarXiv
  17. OPRD-Imp: a dataset of experimentally observed impurities and side products in multi-step pharmaceutical syntheses
    Heejeong Kim, Seonbin Kim, Jihwan Kim +6
    arXivPreprintCC BY 4.0Full textPhysical chemistryarXiv
  18. PolyGPT: A Decoder-Only Transformer for Polymer Electrolyte Design
    Tanmay Sarkar Akash, Siddhartha Das
    arXivPreprintarXiv licenceFull textPhysical chemistryarXiv
  19. Spectral symmetry fingerprints in equivariant representations
    Jiacheng Cen, Anyi Li, Ning Lin +3
    arXivPreprintarXiv licenceFull textPhysical chemistryarXiv
  20. GPU implementation of mixed quantum-classical Liouville molecular dynamics without momentum jump
    Koji Ando
    arXivPreprintCC BY 4.0Full textPhysical chemistryarXiv
  21. Metastable Phase Separation and Information Retrieval in Multicomponent Liquids
    Davide Marcato, Rodrigo Braz Teixeira, Izaak Neri +1
    Physical Review XPeer-reviewedCC BY 4.0Materials & polymersAPS
  22. Anisotropic exciton diffusion in O-IDTBR from first-principles molecular dynamics in the first excited state
    Cheick Diarra, Julien Taillieu, Mauro Boero +1
    Physical Chemistry Chemical PhysicsPeer-reviewedPublisher termsFull textGeneral chemistryHAL
  23. Redescription and neotypification of Alexandrium minutum Halim—the type species of Alexandrium —from its type locality in Alexandria, Egypt, with insights into ribotype biogeography and toxicity
    Shuning Huang, Haifeng Gu, Bernd Krock +4
    Journal of PhycologyPeer-reviewedLicence not statedFull text1 citedEnvironmental chemistryHAL
  24. Reversible anaerobic oxidation of methane, carbon assimilation, and mineral authigenesis in pockmark sediments over the past 40 kyr: Insights from C–S–O isotopes and diagenetic modelling
    Jurjen Rooze, Pierre Sansjofre, Christof Meile +3
    Geochimica et Cosmochimica ActaPeer-reviewedCC BYEnvironmental chemistryHAL
  25. Towards standardized molecular monitoring of HABs: A consensus guide to qPCR
    Uwe John, Dave Clarke, Holly Bowers +26
    Harmful AlgaePeer-reviewedCC BY2 citedEnvironmental chemistryHAL