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Summary
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Русский: (-)-(S)-Nicotine: optimized at DFT-M06/6-31G(d) level. Orbitals: HOMO (below) and LUMO (above) are shown; isoval=0.02. See [Balabin R. M., Lomakina E. I. Neural network approach to quantum-chemistry data: Accurate prediction of density functional theory energies // The Journal of Chemical Physics. — 2009. — Vol. 131, iss. 7. — P. 074104. — ISSN 0021-9606. — DOI:10.1063/1.3206326] for details. |
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| Date/Time | Thumbnail | Dimensions | User | Comment | |
|---|---|---|---|---|---|
| current | 03:21, 4 January 2019 | | 2,289 × 3,100 (3.98 MB) | Balabinrm | User created page with UploadWizard |
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