Molecular design using quantum chemical calculations for property estimation. Lehmann, A. & Maranas, C. D Industrial & engineering chemistry research, 43(13):3419–3432, ACS Publications, 2004. bibtex @article{lehmann2004molecular,
title={Molecular design using quantum chemical calculations for property estimation},
author={Lehmann, Andreas and Maranas, Costas D},
journal={Industrial \& engineering chemistry research},
volume={43},
number={13},
pages={3419--3432},
year={2004},
publisher={ACS Publications}
}
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