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1 Ergebnisse
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Predicting the enthalpy of formation of energetic molecules..:
Zhang, Di
;
Chu, Qingzhao
;
Chen, Dongping
Physical Chemistry Chemical Physics. 26 (2024) 8 - p. 7029-7041 , 2024
Link:
https://doi.org/10.1039/d3cp05490j
RT Journal T1 <Title>Predicting the enthalpy of formation of energetic molecules via conventional machine learning and GNN</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1039_d3cp05490j&Exemplar=1&LAN=DE A1 Zhang, Di A1 Chu, Qingzhao A1 Chen, Dongping PB Royal Society of Chemistry (RSC) YR 2024 SN 1463-9076 SN 1463-9084 JF Physical Chemistry Chemical Physics VO 26 IS 8 SP 7029 OP 7041 LK http://dx.doi.org/https://doi.org/10.1039/d3cp05490j DO https://doi.org/10.1039/d3cp05490j SF ELIB - SuUB Bremen
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