Vitamin E models. Conformational analysis and stereochemistry of tetralin, chroman, thiochroman and selenochroman
Tetralin, chroman as well as its' S and Se containing congeners were subjected to ab initio (RHF/3-21G and RHF/6-31G(d)) and DFT (B3LYP/6-31G(d)) computation. Molecular geometries and the activation energies for ring inversions were determined with full geometry optimizations. (C) 2002 Elsevier...
Elmentve itt :
| Szerzők: | |
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| Dokumentumtípus: | Cikk |
| Megjelent: |
2002
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| Sorozat: | JOURNAL OF MOLECULAR STRUCTURE: THEOCHEM
594 No. 3 |
| Tárgyszavak: | |
| doi: | 10.1016/S0166-1280(02)00299-3 |
| mtmt: | 1132558 |
| Online Access: | http://publicatio.bibl.u-szeged.hu/28637 |
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| 100 | 1 | |a Setiadi David H. | |
| 245 | 1 | 0 | |a Vitamin E models. Conformational analysis and stereochemistry of tetralin, chroman, thiochroman and selenochroman |h [elektronikus dokumentum] / |c Setiadi David H. |
| 260 | |c 2002 | ||
| 300 | |a 161-172 | ||
| 490 | 0 | |a JOURNAL OF MOLECULAR STRUCTURE: THEOCHEM |v 594 No. 3 | |
| 520 | 3 | |a Tetralin, chroman as well as its' S and Se containing congeners were subjected to ab initio (RHF/3-21G and RHF/6-31G(d)) and DFT (B3LYP/6-31G(d)) computation. Molecular geometries and the activation energies for ring inversions were determined with full geometry optimizations. (C) 2002 Elsevier Science B.V. All rights reserved. | |
| 650 | 4 | |a Általános orvostudomány | |
| 700 | 0 | 1 | |a Chasse Gregory Adam |e aut |
| 700 | 0 | 1 | |a Torday László |e aut |
| 700 | 0 | 1 | |a Varró András |e aut |
| 700 | 0 | 1 | |a Papp Gyula |e aut |
| 856 | 4 | 0 | |u http://publicatio.bibl.u-szeged.hu/28637/1/VitaminEmodelsConformationalalnalysisandstereochemistryoftetralin1248662.pdf |z Dokumentum-elérés |