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19922026
most citedFast and Accurate Modeling of Molecular Atomization Energies with Machine Learning

2.4k citations

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Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

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Showing 2026 · physics.chem-phShow all

3 papers · 2 filters

physics.chem-ph2026

Photoinduced enhancement of chemical shift sensitivity to local vibrations

Ana Martínez Gutiérrez, Oliver Alexander, Pablo Estévez Alonso +26

The advent of novel free-electron laser sources enabling time-resolved x-ray photoelectron spectroscopy (tr-XPS) provides a unique opportunity to monitor local chemical environment…

physics.chem-ph2026

Controlling isomer population using a dual-oscillator infrared free-electron laser

América Y. Torres-Boy, Anoushka Ghosh, Myles B. T. Osenton +8

We report on the control and characterization of the isomer population of ions inside superfluid helium nanodroplets, using two-color operation of a dual-oscillator infrared free-e…

physics.chem-ph2026

Probing the structure of cyclic hydrocarbon molecules with X-ray-induced Coulomb explosion imaging

Kurtis D. Borne, Rebecca Boll, Thomas M. Baumann +27

Coulomb explosion imaging (CEI) is a powerful experimental technique that maps a molecule's geometric structure onto the momenta of ionic molecular fragments produced by rapid mult…