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Physical chemistry

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1,517 studies

  1. A Broadly Deployable Method for Repeated Hyperpolarized ¹³ C Metabolic Imaging in Living Animals
    Josef Elsasser, Stefan Sell, Philipp Groß +19
    ChemRxivPreprintCC BYFull textPhysical chemistryChemRxiv
  2. Aryne-Enabled Synthesis of 1,8-Disubstituted Thioxanthones for Conformationally Gated Metal-Ion Sensing
    Riku Arakaki, Mayu Kawada, Suguru Yoshida
    ChemRxivPreprintCC BYFull textPhysical chemistryChemRxiv
  3. Transition state to minimum conversion in the Cope rearrangement under gigapascal pressure
    Jorge Laranjeira, Roberto Cammi, Bo Chen
    ChemRxivPreprintCC BYFull textPhysical chemistryChemRxiv
  4. MassNet: billion-scale AI-ready mass spectral corpus empowering scalable deep learning in proteomics
    Jun A, Xiang Zhang, Xiaofan Zhang +11
    Nature MethodsPeer-reviewedCC BY-NC-ND 4.0Full text2 citedPhysical chemistryPMC
  5. Vibrational Dressing of Collective Molecular Polaritons: A Scalable Green's-Function Theory
    Wenxiang Ying, Michael Galperin, Abraham Nitzan
    arXivPreprintCC BY 4.0Full textPhysical chemistryarXiv
  6. A tutorial on quantum scattering theory and coupled-channel calculations of bimolecular collisions
    Karl P. Horn, Christiane P. Koch
    arXivPreprintCC BY 4.0Full textPhysical chemistryarXiv
  7. Modeling Transport and Mechanics in Anion Exchange Membranes to Optimize Continuous CO2 Separations
    Samaneh Bayati, Jennifer Wade, Sara Sarbaz +3
    arXivPreprintCC BY-NC-ND 4.0Full textPhysical chemistryarXiv
  8. Cartesian and Curvilinear Anharmonic Frequencies and Intensities: Perturb-then-Diagonalize Polyad Transport and Adiabatic Discrete-Variable Representation
    Vincenzo Barone
    arXivPreprintarXiv licenceFull textPhysical chemistryarXiv
  9. Near-field contributions to cavity-mediated radiative heat transfer
    Antonio Mastropasqua, Martin Eckstein, Daniele Fausti +1
    arXivPreprintCC BY 4.0Full textPhysical chemistryarXiv
  10. High-Harmonic Generation Probes Quantum Nuclear Fluctuations in Liquid Water
    George Trenins, Nicolas Tancogne-Dejean, Angana Mondal +5
    arXivPreprintCC BY 4.0Full textPhysical chemistryarXiv
  11. Density and excess molar enthalpy of 2-butanol + glyme liquid mixtures. Application of the DISQUAC, UNIFAC (Dortmund) and ERAS models to 2-alkanol + linear ether systems
    Fatemeh Pazoki, João Victor Alves-Laurentino, Susana Villa +4
    arXivPreprintCC BY-NC-ND 4.0Full textPhysical chemistryarXiv
  12. ActMOF: Mapping Reticular Synthesis through Active Learning
    Hongrui Sheng, Shutian Liang, Reid A. Coyle +5
    arXivPreprintarXiv licenceFull textPhysical chemistryarXiv
  13. Combined Absorption and Emission Study of Air Species in NASA EAST
    Jesse W. Streicher, Efaine Chang, Dylan L. Drescher +5
    arXivPreprintCC BY 4.0Full textPhysical chemistryarXiv
  14. Does Pretraining Teach Chemical Language Models Chemistry?
    Leif Sieben, Yoel Zimmermann
    arXivPreprintCC BY 4.0Full textPhysical chemistryarXiv
  15. A Parameter-Free Reference Hamiltonian for Tight-Binding Vanadium Oxides
    Jun-qiang Lu
    arXivPreprintCC BY 4.0Full textPhysical chemistryarXiv
  16. GW reduced density matrix from iterated linearized Dyson equation
    Fabien Bruneval, Erik Verzijl, Arno Förster +1
    arXivPreprintCC BY 4.0Full textPhysical chemistryarXiv
  17. Sub-Second Ratiometric Fluorescence Imaging of Histamine Dynamics in Living Cells via a Supramolecular Probe.
    Chenming Chan, Yujie Han, Yu-Fei Song +2
    Advanced science (Weinheim, Baden-Wurttemberg, Germany)Peer-reviewedCC BYFull textPhysical chemistryEurope PMC
  18. Experimental Evaluation and Optimisation of Sealed‐Tube Combustion Methods for Silicate Nitrogen Extraction
    Fawn S. M. Holland, Sami Mikhail, Kirsten W. Y. Wong +2
    Rapid communications in mass spectrometry : RCMPeer-reviewedCC BYFull textPhysical chemistryEurope PMC
  19. Long-wavelength QCL spectrometer for the detection of CO₂, C₆H₆ and C₂H₂ at the ppb-level
    Davide Pinto, Iskander Gazizov, Roland Teissier +2
    Optics ExpressPeer-reviewedLicence not statedPhysical chemistryCrossref
  20. Non-traditional stable isotope measurements using laser desorption Orbitrap mass spectrometry: Implications for planetary missions
    Soumya Ray, Madeline C Raith, Zachary A Torrano +7
    International Journal of Mass SpectrometryPeer-reviewedCC BY-NC-ND 4.0Full text1 citedPhysical chemistryHAL
  21. Recent advances in protein extraction methods from bone tissue for proteomics analysis
    Karoline B. do. Nascimento, Bruno L. Graciliano Silva, Felipe E. Pinotti +4
    Royal Society Open SciencePeer-reviewedCC BY 4.0Full textPhysical chemistryCrossrefEurope PMC
  22. Origami-inspired folded-interlocked nanofiber aerogels for thermal insulation
    Xuanyu Chen, Yuan Zhao, Zhijun Zhang +3
    Nature CommunicationsPeer-reviewedCC BY-NC-ND 4.0Full textPhysical chemistryCrossref
  23. Validation of a MALDI Intact Cell Mass Spectrometry Workflow for Routine Application in Monitoring Industrial E. coli Fermentations
    Cristian Zanetti, Christopher Stephan, Rudolf Bednar +2
    Journal of mass spectrometry : JMSPeer-reviewedCC BY-NC-NDFull textPhysical chemistryEurope PMC
  24. How much of natural-product chemical space has a reference spectrum? An open audit of GNPS, MassBank and MoNA against COCONUT and LOTUS
    Oshoma Erumiseli, Bila Hassan Ali, Dauda Garba
    ChemRxivPreprintCC BYFull textPhysical chemistryChemRxiv
  25. Crystallographic Visualization of Cooperative Molecular Motion Underlying the Photomechanical Response of a Diarylethene Crystal
    Takumu Yoshikawa, Daichi Kitagawa, Seiya Kobatake
    ChemRxivPreprintCC BY-NC-NDPhysical chemistryChemRxiv