"Exploring Molecular Energy Landscapes by Coupling the DFTB Potential with ..."

Valentin Milia et al. (2024)

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DOI: 10.1021/ACS.JCIM.3C01981

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type: Journal Article

metadata version: 2024-05-17

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  - https://dblp.org/rec/journals/jcisd/MiliaTZCR24
Valentin Milia, Nathalie Tarrat, Christophe Zanon, Juan Cortés, Mathias Rapacioli:
Exploring Molecular Energy Landscapes by Coupling the DFTB Potential with a Tree-Based Stochastic Algorithm: Investigation of the Conformational Diversity of Phthalates. J. Chem. Inf. Model. 64(8): 3290-3301 (2024)

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