atomization energy

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BAND NN: A Deep Learning Framework for Energy Prediction and Geometry Optimization of Organic Small Molecules.
Laghuvarapu, Siddhartha;Pathak, Yashaswi;Priyakumar, U Deva;
2019 journal of computational chemistry DOI: 10.1002/jcc.26128 234 views

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journal of computational chemistry
ISSN: 1096-987X 715 views

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Machine learning Neural network conformational analysis geometry optimization