Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory.
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| Title: | Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory. |
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| Authors: | Stylianakis, Ioannis1, Zervos, Nikolaos1, Lii, Jenn-Huei2, Pantazis, Dimitrios A.3, Kolocouris, Antonios1,4, ankol@pharm.uoa.gr |
| Source: | Journal of Computer-Aided Molecular Design; Dec2023, Vol. 37 Issue 12, p607-656, 50p |
| Database: | Applied Science & Technology Source |
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| ISSN: | 0920654X |
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| DOI: | 10.1007/s10822-023-00513-5 |
