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QSPR models based on molecular mechanics and quantum chemical calculations. 1. Construction of Boltzmann-averaged descriptors for alkanes,alcohols, diols,ethers and cyclic compounds |
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| Authors: | Dyekjaer Jane Rasmussen Kjeld Jónsdóttir Svava |
| Affiliation: | Department of Chemistry, Technical University of Denmark, DK-2800 Kgs. Lyngby, Denmark. |
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