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Physical chemistry

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1,558 studies

  1. [Separation and purification of phospholipids from Antarctic krill oil by hydrophilic interaction liquid chromatography].
    Jian Pan, Lin Hong, Yan Zhang
    Se pu = Chinese journal of chromatographyPeer-reviewedCC BYFull textPhysical chemistryEurope PMC
  2. Density evolution at fluid-fluid interfaces: A generalized Gibbs-Duhem theory
    Fei Wang
    arXivPreprintCC BY 4.0Full textPhysical chemistryarXiv
  3. Single Cell Proteomics to Spatial Multiomics in Cardiovascular Disease: Foundations, Technologies, and Biological Insights
    Aleksandra Binek, Peggi M. Angel
    Circulation researchPeer-reviewedLicence not statedFull text2 citedPhysical chemistryPMC
  4. Efficient Light‐Driven Multi‐Electron Accumulation on Viologens by Molecular Control Over Photochemical Reaction Pathways
    Fatemeh Sousani, Georgina E. Shillito, Alexander K. Mengele +5
    Chemistry (Weinheim an Der Bergstrasse, Germany)Peer-reviewedCC BY 4.0Full textPhysical chemistryPMC
  5. Mode-Selective and Anharmonicity-Controlled Energy Transport in Cavity-Coupled Water
    Sachith Wickramasinghe, Michael Fowler, Gerrit Groenhof +1
    arXivPreprintCC BY 4.0Full textPhysical chemistryarXiv
  6. Fast and Accurate Equivariant Foundation Models for Atomistic Simulation
    Seán R. Kavanagh, Chuin Wei Tan, Menghang Wang +12
    arXivPreprintCC BY 4.0Full text12 citedPhysical chemistryarXivOpenAlex
  7. Telluronium Cation Coordination of Crown Ethers and Polyethers through Chalcogen Bonding: Coulombically Driven Strong Association and Templated Cyclization
    Loïc Groslambert, Andres Padilla-Hernandez, Yann Cornaton +3
    HALPreprintCC BY-NC 4.0Full textPhysical chemistryHAL
  8. Pressure-Induced Irreversible Disorder in β′-Mn3(PO4)2: A High-Pressure X-ray Diffraction and Density-Functional Theory Study
    Ana Melissa P. Brito, Neha Bura, Pablo Botella +7
    arXivPreprintarXiv licenceFull textPhysical chemistryarXiv
  9. Recommended Second Virial Coefficients for Nitrogen and Oxygen
    Robert Hellmann, Giovanni Garberoglio, Allan H. Harvey
    arXivPreprintarXiv licenceFull textPhysical chemistryarXiv
  10. Cellular Membrane‐Targeted Europium(III) Probe for Selective and Time‐Resolved Detection of Peroxynitrite
    Jamie Webb, Rebecca Tiffany, Karolis Norvaisa +4
    Chemistry (Weinheim an Der Bergstrasse, Germany)Peer-reviewedCC BY 4.0Full textPhysical chemistryPMC
  11. Proteomic insights in sepsis: advancing diagnosis, therapeutic targets, and the path to precision medicine
    Jhan S. Saavedra-Torres, Nelson Adolfo López Garzón, María Virginia Pinzón-Fernández +6
    Clinical ProteomicsPeer-reviewedCC BY-NC-ND 4.0Full textPhysical chemistryPMC
  12. Automated Virtual Pathology Panels for ML-Assisted Interpretation of Mass Spectrometry Imaging
    J. Gildenblat, J. Pahnke
    bioRxivPreprintCC BY-NC-NDFull textPhysical chemistrybioRxiv
  13. Assessment of Attainable Distances in Proteins by Through‐Space 19F–19F Couplings
    Iker Hernández, In‐Ja L. Byeon, Christina M. Monnie +4
    Chemistry (Weinheim an Der Bergstrasse, Germany)Peer-reviewedCC BY 4.0Full textPhysical chemistryPMC
  14. Axel Dieter Becke: Not just the “B” in “B3LYP”
    Mark Casida
    Electronic StructurePeer-reviewedCC BY-SA 4.0Full text1 citedPhysical chemistryTheoretical & computational chemistryHALarXiv
  15. The need for standardization and improved open (meta)data practices in metaproteomics
    Tim Van Den Bossche, Maximilian Wolf, Jean Armengaud +26
    MicrobiomePeer-reviewedCC BYFull text6 citedPhysical chemistryOpenAlex
  16. On the effective rank of canonical polyadic decomposition of electron repulsion integrals
    Aleksandra Oszmian, Michał Lesiuk
    arXivPreprintCC BY 4.0Full textPhysical chemistryarXiv
  17. Integrated proteomics and machine learning for identifying candidate serum biomarkers in acute myocardial infarction-complicated cardiogenic shock: a prospective exploratory study
    Xi Wang, Qian-feng Xiao, Fang-yang Huang +6
    Clinical ProteomicsPeer-reviewedCC BY-NC-ND 4.0Full textPhysical chemistryPMC
  18. Nonadiabatic excited-state dynamics with quantum Monte Carlo-trained machine learning: azomethane as a stringent test
    Alfonso Annarelli, Emiel Slootman, Claudia Filippi
    arXivPreprintarXiv licenceFull textPhysical chemistryarXiv
  19. Production and spectroscopy of cold radioactive molecules
    Chandler J. Conn, Phelan Yu, Madison I. Howard +8
    SciencePeer-reviewedLicence not statedFull text12 citedPhysical chemistryOpenAlex
  20. Deriving General Energy Predictors for Pnictogen Bonding
    Jan Langwald, Antonio Frontera
    Chemistry (Weinheim an Der Bergstrasse, Germany)Peer-reviewedCC BY 4.0Full textPhysical chemistryPMC
  21. A Mesoscopic Ginzburg--Landau Model for Vibrational Strong Coupling Enhanced Rayleigh Scattering in Molecular Liquids
    Wenxiang Ying, Abraham Nitzan
    arXivPreprintCC BY 4.0Full textPhysical chemistryarXiv
  22. Internal rotation and 14N nuclear quadrupole coupling in 5-methyl-2-nitrophenol: microwave spectroscopic and quantum chemical study of an atmospheric pollutant
    Eléonore Antonelli, Valerie Tsoi, M. Eugenia Sanz +2
    Journal of Molecular SpectroscopyPeer-reviewedPublisher termsFull textPhysical chemistryHAL
  23. Development and Evaluation of a Capillary Column GC-FID Identification Test for Sage Oil and Sage Water Listed in the Japanese Standards of Quasi-Drug Ingredients
    Taichi Yoshitomi, Iwaki Nishi, Takahiro Iwahashi +1
    Chemical and Pharmaceutical BulletinPeer-reviewedCC BY-NCFull textPhysical chemistryJ-STAGE
  24. A Quantum-HPC Hybrid Workflow for Reaction-Center Electronic Dynamics: Application to a Cytochrome P450-Inspired Iron-Complex Model
    Shintaro Maekawa, Takao Otsuka, Riku Masui +4
    arXivPreprintarXiv licenceFull textPhysical chemistryarXiv
  25. An Isotope-Induced Polarity Bias in Electrospray Ionization Mass Spectrometry.
    Qi Ying Neo, Henry T P Annecke, Irena Papageorgiou +7
    ACS measurement science auPeer-reviewedCC BYFull textPhysical chemistryEurope PMC