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Volumn 59, Issue 49, 2003, Pages 9695-9700

A DFT exploration of the enantioselective rearrangement of cyclohexene oxide to cyclohexenol

Author keywords

Cyclohexene oxide; Enantioselectivity; deprotonation

Indexed keywords

3 (PYRROLIDINYL)METHYL 2 AZABICYCLO[2.2.1]HEPTANE; ALCOHOL DERIVATIVE; CYCLOHEXANE OXIDE; CYCLOHEXENOL; DIAMINE; HEPTANE; LIGAND; UNCLASSIFIED DRUG;

EID: 0242475010     PISSN: 00404020     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.tet.2003.10.013     Document Type: Article
Times cited : (11)

References (26)
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    • Unpublished data
    • (a) Brandt, P.; Norrby, P. -O. Unpublished data. The force field parameters were refined to reproduce B3LYP geometries and mass-weighted cartesian Hessian data, where the eigenvalue of the mode corresponding to the reaction coordinate had been modified to a large positive value. For details of the Q2MM method, see: (b) Norrby P.-O., Brandt P., Rein T. J. Org. Chem. 64:1999;5845 (c) Norrby P.-O. J. Mol. Struct.-Theochem. 506:2000;9 (d) Jensen F., Norrby P.-O. Theor. Chem. Acc. 109:2003;1-7.
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    • (a) Brandt, P.; Norrby, P. -O. Unpublished data. The force field parameters were refined to reproduce B3LYP geometries and mass-weighted cartesian Hessian data, where the eigenvalue of the mode corresponding to the reaction coordinate had been modified to a large positive value. For details of the Q2MM method, see: (b) Norrby P.-O., Brandt P., Rein T. J. Org. Chem. 64:1999;5845 (c) Norrby P.-O. J. Mol. Struct.-Theochem. 506:2000;9 (d) Jensen F., Norrby P.-O. Theor. Chem. Acc. 109:2003;1-7.
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    • (a) Brandt, P.; Norrby, P. -O. Unpublished data. The force field parameters were refined to reproduce B3LYP geometries and mass-weighted cartesian Hessian data, where the eigenvalue of the mode corresponding to the reaction coordinate had been modified to a large positive value. For details of the Q2MM method, see: (b) Norrby P.-O., Brandt P., Rein T. J. Org. Chem. 64:1999;5845 (c) Norrby P.-O. J. Mol. Struct.-Theochem. 506:2000;9 (d) Jensen F., Norrby P.-O. Theor. Chem. Acc. 109:2003;1-7.
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    • The force field parameters were refined to reproduce B3LYP geometries and mass-weighted cartesian Hessian data, where the eigenvalue of the mode corresponding to the reaction coordinate had been modified to a large positive value. For details of the Q2MM method, see: (b)
    • (a) Brandt, P.; Norrby, P. -O. Unpublished data. The force field parameters were refined to reproduce B3LYP geometries and mass-weighted cartesian Hessian data, where the eigenvalue of the mode corresponding to the reaction coordinate had been modified to a large positive value. For details of the Q2MM method, see: (b) Norrby P.-O., Brandt P., Rein T. J. Org. Chem. 64:1999;5845 (c) Norrby P.-O. J. Mol. Struct.-Theochem. 506:2000;9 (d) Jensen F., Norrby P.-O. Theor. Chem. Acc. 109:2003;1-7.
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.