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Crystal Structure Prediction for Benzene Using Basin-Hopping Global Optimization

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Banerjee,  Atreyee
Dept. Kremer: Polymer Theory, MPI for Polymer Research, Max Planck Society;
Dept Chem, Univ Cambridge, Cambridge, UK;

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Citation

Banerjee, A., Jasrasaria, D., Niblett, S. P., & Wales, D. J. (2021). Crystal Structure Prediction for Benzene Using Basin-Hopping Global Optimization. Journal of Physical Chemistry A, 125(17), 3776-3784. doi:10.1021/acs.jpca.1c00903.


Cite as: https://hdl.handle.net/21.11116/0000-0008-A81F-9
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