Articles with "heavy atoms" as a keyword



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Relativistic and resonant effects in the ionization of heavy atoms by ultra-intense hard X-rays

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Published in 2018 at "Nature Communications"

DOI: 10.1038/s41467-018-06745-6

Abstract: An accurate description of the interaction of intense hard X-ray pulses with heavy atoms, which is crucial for many applications of free-electron lasers, represents a hitherto unresolved challenge for theory because of the enormous number… read more here.

Keywords: hard ray; ultra intense; heavy atoms; intense hard ... See more keywords

Quantum mechanical dataset of 836k neutral closed-shell molecules with up to 5 heavy atoms from C, N, O, F, Si, P, S, Cl, Br

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Published in 2024 at "Scientific Data"

DOI: 10.1038/s41597-025-05428-4

Abstract: We introduce the Vector-QM24 (VQM24) dataset comprehensively covering all possible neutral closed-shell small organic and inorganic molecules with up to five heavy (p-block) atoms: C, N, O, F, Si, P, S, Cl, Br. All valid… read more here.

Keywords: mechanical dataset; closed shell; quantum mechanical; neutral closed ... See more keywords