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375 related items for PubMed ID: 18052348

  • 1. Theoretical analysis of concerted and stepwise mechanisms of Diels-Alder reactions of butadiene with silaethylene and disilene.
    Wakayama H, Sakai S.
    J Phys Chem A; 2007 Dec 27; 111(51):13575-82. PubMed ID: 18052348
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  • 3. Theoretical studies of metallo (Li and Na)-ene reaction mechanisms.
    Sakai S, Hikida T.
    J Phys Chem A; 2008 Oct 30; 112(43):10985-92. PubMed ID: 18839936
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  • 4. Novel pathways for oxygen insertion into unactivated C-H bonds by dioxiranes. Transition structures for stepwise routes via radical pairs and comparison with the concerted pathway.
    Freccero M, Gandolfi R, Sarzi-Amadè M, Rastelli A.
    J Org Chem; 2003 Feb 07; 68(3):811-23. PubMed ID: 12558403
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  • 6. Theoretical studies on the electrocyclic reactions of bis(allene) and vinylallene. Role of allene group.
    Sakai S.
    J Phys Chem A; 2006 Aug 03; 110(30):9443-50. PubMed ID: 16869695
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  • 11. Enhancing reactivity of carbonyl compounds via hydrogen-bond formation. A DFT study of the hetero-Diels-Alder reaction between butadiene derivative and acetone in chloroform.
    Domingo LR, Andrés J.
    J Org Chem; 2003 Oct 31; 68(22):8662-8. PubMed ID: 14575500
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  • 13. Theoretical studies on Myers-Saito and Schmittel cyclization mechanisms of hepta-1,2,4-triene-6-yne.
    Sakai S, Nishitani M.
    J Phys Chem A; 2010 Nov 04; 114(43):11807-13. PubMed ID: 20923210
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  • 15. Theoretical studies on the photochemical reaction mechanisms of o-xylylene. Effects of phenyl group for electrocyclic reaction mechanism.
    Sakai S, Yamada T.
    Phys Chem Chem Phys; 2008 Jul 14; 10(26):3861-6. PubMed ID: 18688384
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  • 16. Mechanisms of the reactions of W AND W+ with H2O: computational studies.
    Musaev DG, Xu S, Irle S, Lin MC.
    J Phys Chem A; 2006 Apr 06; 110(13):4495-501. PubMed ID: 16571055
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  • 17. Conformational selectivity in the diels-alder cycloaddition: predictions for reactions of s-trans-1,3-butadiene.
    Bradley AZ, Kociolek MG, Johnson RP.
    J Org Chem; 2000 Oct 20; 65(21):7134-8. PubMed ID: 11031040
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  • 18. Transition states for the dimerization of 1,3-cyclohexadiene: a DFT, CASPT2, and CBS-QB3 quantum mechanical investigation.
    Ess DH, Hayden AE, Klärner FG, Houk KN.
    J Org Chem; 2008 Oct 03; 73(19):7586-92. PubMed ID: 18763823
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  • 19. A reactive bond orbital investigation of the Diels-Alder reaction between 1,3-butadiene and ethylene: Energy decomposition, state correlation diagram, and electron density analyses.
    Hirao H.
    J Comput Chem; 2008 Jul 15; 29(9):1399-407. PubMed ID: 18213608
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  • 20. Synergistic activation of the Diels-Alder reaction by an organic catalyst and substituents: a computational study.
    Linder M, Brinck T.
    Org Biomol Chem; 2009 Apr 07; 7(7):1304-11. PubMed ID: 19300814
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