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Physical chemistry

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1,517 studies

  1. Zero photoemission from icosahedral superatoms
    Yuta Suzuki, Mamoru Tanaka, Yoshi-ichi Suzuki +2
    arXivPreprintCC BY 4.0Full textPhysical chemistryarXiv
  2. Solubility of poorly soluble species in bulk and nanopores from grand-canonical Wang-Landau sampling
    Russell Kajouri, Adyant Agrawal, Philipp Stärk +2
    arXivPreprintCC BY 4.0Full textPhysical chemistryarXiv
  3. Derivation of the Sample-Size Scaling of TWO-NN Intrinsic-Dimension Estimates from Molecular Dynamics Trajectories
    Riccardo Capelli
    arXivPreprintarXiv licenceFull textPhysical chemistryarXiv
  4. Resolving Peak Shifting Effects in Real-Time Time-Dependent Orbital Propagation Methods Through Nonorthogonal Expansions
    Matheus M. F. de Moraes, Lee M. Thompson
    arXivPreprintCC BY 4.0Full textPhysical chemistryarXiv
  5. Contrastive Regularization of Machine Learning Potentials
    Dimitrios Tzivrailis, Georgios Sotiropoulos, Alberto Rosso +1
    arXivPreprintCC BY 4.0Full textPhysical chemistryarXiv
  6. Cell-type resolved prenylomics in mouse liver enabled by a low-input proteomics workflow
    Harinarayanan Kottala, LeeAnn Higgins, Gavin Fredrickson +3
    bioRxivPreprintAll rights reservedFull textPhysical chemistrybioRxivPMC
  7. PeptidomicsDB: a unified resource of endogenous peptidomes for peptide discovery and functional exploration across species and biological contexts
    Fengyuan Yang, Yichen Guo, Peiqi Luo +7
    Nucleic Acids ResearchPeer-reviewedCC BY-NC 4.0Full textPhysical chemistryCrossref
  8. Design and Construction of a Low-Cost, Open-Source Syringe-Based Pipetting Robot Using 3D Printing and Common Hardware Parts
    Shogo Shirahata, Mikael Kuwahara, Fernando Garcia-Escobar +2
    ACS OmegaPeer-reviewedCC BY-NC-ND 4.0Full textPhysical chemistryCrossrefPMC
  9. GEMMA: a Gel-based Electrochemical sensor for the Measurement of Metal Availability in solution
    Rima Moussaoui, Renaud Gley, Clément Bojic +2
    Environmental ChemistryPeer-reviewedCC BY-NC-SA 4.0Full textAnalytical chemistryPhysical chemistryHAL
  10. From Bench to Game Engine: An Instructor-Built Suite of 3D Laboratory Simulations Created with Generative AI
    John Picione
    ChemRxivPreprintCC BYFull textPhysical chemistryChemRxiv
  11. Conformational Dynamics of Cation-Cryptophane Complexes by Ion Mobility Mass Spectrometry
    Oscar H. Lloyd Williams, Niklas Geue, Thomas D. Hoare +9
    ChemRxivPreprintCC BYFull textPhysical chemistryChemRxiv
  12. The Nuclear Landscape: A Five-Variable 3D-Printed Representation of the Nuclides
    Helena Schales, Jack Smart, Peter Oshkai +1
    ChemRxivPreprintCC BYFull textPhysical chemistryChemRxiv
  13. Stepwise quantum chemical optimization reveals the origin of layered herringbone packing and polymorphism in polyacenes
    Ryota Ono, Satoru Inoue, Mao Miyoshi +3
    Communications ChemistryPeer-reviewedCC BY-NC-ND 4.0Full textPhysical chemistryNatureCrossrefEurope PMCDOAJ
  14. Spatial lipidomics of Fasciola hepatica using high-resolution AP-SMALDI Orbitrap MSI – a lipid tissue atlas
    Carolin M. Morawietz, Stefanie Gerbig, Simone Haeberlein +1
    Frontiers in Cellular and Infection MicrobiologyPeer-reviewedCC BY 4.0Full textPhysical chemistryPMC
  15. Recommendations for Quantitative Data-Independent Acquisition (DIA) Proteomics Using Controlled Quantitative Experiments (CQEs)
    Andrew Michael Frey, Frances R. Sidgwick, Andrew Porter +2
    Journal of Proteome ResearchPeer-reviewedCC BYFull text7 citedPhysical chemistryOpenAlex
  16. LRP2: a proteogenomics pipeline for long-read informed protein isoform analysis and discovery
    Megan D Schertzer, Julia T Lewandowski, Emily F Watts +11
    BioinformaticsPeer-reviewedCC BY 4.0Full textPhysical chemistryPMC
  17. A Universal Constitutive Relation for Static Droplet Retention
    Lisen Bi, Fei Wang, Ruize Yin +1
    arXivPreprintCC BY 4.0Full textPhysical chemistryarXiv
  18. Precise Determination of Electric Dipole Polarizabilities of Sr Clock States Using Linear-Response and Equation-of-Motion Relativistic Coupled-Cluster Methods
    Somesh Chamoli, Sudipta Chakraborty, B. K. Sahoo +3
    arXivPreprintCC BY 4.0Full textPhysical chemistryarXiv
  19. Strontium Titanate Capping Layers as Kinetic Regulators of Redox Phase Transitions in Oxide Heterostructures
    Pooya Abdollahi, Woo Jin Kim, Keaghan Knight +2
    arXivPreprintCC BY 4.0Full textPhysical chemistryarXiv
  20. Nonadiabatic vibrational dynamics of CO on Pt(111) studied with first-principles many-body perturbation theory
    Raúl Bombín, Iñaki Fernández Tena, J. Iñaki Juaristi +1
    arXivPreprintCC BY-NC-SA 4.0Full textPhysical chemistryarXiv
  21. Unifying Time-Independent and Time-Dependent Franck--Condon Pictures in Quantum Mechanochemistry via the Linear Coupling Approximation
    Vladimir V. Rybkin
    arXivPreprintCC BY 4.0Full textPhysical chemistryarXiv
  22. Multireference Polarizable Embedding for Core-Level Spectroscopy in Aqueous Solution: XPS and XAS of Glycine
    Chiara Sepali, Pietro Dal Cin, Alicia Marie Kirk +2
    arXivPreprintCC BY-NC-ND 4.0Full textPhysical chemistryarXiv
  23. Unconstrained learning of equivariant atomistic properties
    Joseph W. Abbott, Paolo Pegolo, Pol Febrer +6
    arXivPreprintarXiv licenceFull textPhysical chemistryarXiv
  24. A sharp gradient-corrected Lieb--Thirring inequality in one dimension with applications to density functional theory
    Thiago Carvalho Corso, Louis Garrigue
    arXivPreprintCC BY-NC-SA 4.0Full textPhysical chemistryarXiv
  25. Strain Waves Generate Compression and Trigger Buckling in Active Polymers
    Wen-de Tian, Kang Chen, Tianhui Zhang
    arXivPreprintCC BY 4.0Full textPhysical chemistryarXiv