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1 Ergebnisse
1
Invariant Features for Accurate Predictions of Quantum Chem..:
, In:
SoutheastCon 2024
,
Baker, Justin
;
Pasini, Massimiliano Lupo
;
Hauck, Cory
- p. 311-320 , 2024
Link:
https://doi.org/10.1109/SoutheastCon52093.2024.1050006
RT T1
SoutheastCon 2024
: T1
Invariant Features for Accurate Predictions of Quantum Chemical UV-vis Spectra of Organic Molecules
UL https://suche.suub.uni-bremen.de/peid=ieee-10500060&Exemplar=1&LAN=DE A1 Baker, Justin A1 Pasini, Massimiliano Lupo A1 Hauck, Cory YR 2024 SN 1558-058X K1 Message passing K1 Training data K1 Computer architecture K1 Switches K1 Predictive models K1 Graph neural networks K1 Robustness K1 Graph Neural Networks K1 Deep Learning K1 Com-putational Chemistry K1 Ultraviolet-Visible Spectrum K1 Density Functional Tight Binding SP 311 OP 320 LK http://dx.doi.org/https://doi.org/10.1109/SoutheastCon52093.2024.10500060 DO https://doi.org/10.1109/SoutheastCon52093.2024.10500060 SF ELIB - SuUB Bremen
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