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Predicting Infrared Spectra with Message Passing Neural Net..:
McGill, Charles
;
Forsuelo, Michael
;
Guan, Yanfei
.
Journal of Chemical Information and Modeling. 61 (2021) 6 - p. 2594-2609 , 2021
Link:
https://doi.org/10.1021/acs.jcim.1c00055
RT Journal T1 <Title>Predicting Infrared Spectra with Message Passing Neural Networks</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jcim.1c00055&Exemplar=1&LAN=DE A1 McGill, Charles A1 Forsuelo, Michael A1 Guan, Yanfei A1 Green, William H. PB American Chemical Society (ACS) YR 2021 SN 1549-9596 SN 1549-960X JF Journal of Chemical Information and Modeling VO 61 IS 6 SP 2594 OP 2609 LK http://dx.doi.org/https://doi.org/10.1021/acs.jcim.1c00055 DO https://doi.org/10.1021/acs.jcim.1c00055 SF ELIB - SuUB Bremen
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