"Alkane/Water Partition Coefficient Calculation Based on the Modified AM1 ..."

Panagiotis C. Petris, Paul Becherer, Johannes G. E. M. Fraaije (2021)

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DOI: 10.1021/ACS.JCIM.0C01478

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type: Journal Article

metadata version: 2021-09-16

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Panagiotis C. Petris, Paul Becherer, Johannes G. E. M. Fraaije:
Alkane/Water Partition Coefficient Calculation Based on the Modified AM1 Method and Internal Hydrogen Bonding Sampling Using COSMO-RS. J. Chem. Inf. Model. 61(7): 3453-3462 (2021)

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