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402 related items for PubMed ID: 15960488

  • 1. A DFT study of Diels-Alder reactions of o-quinone methides and various substituted ethenes: selectivity and reaction mechanism.
    Wang H, Wang Y, Han KL, Peng XJ.
    J Org Chem; 2005 Jun 24; 70(13):4910-7. PubMed ID: 15960488
    [Abstract] [Full Text] [Related]

  • 2. Retro-Diels-Alder reaction of 4H-1,2-benzoxazines to generate o-quinone methides: involvement of highly polarized transition states.
    Sugimoto H, Nakamura S, Ohwada T.
    J Org Chem; 2007 Dec 21; 72(26):10088-95. PubMed ID: 18052075
    [Abstract] [Full Text] [Related]

  • 3. 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
    [Abstract] [Full Text] [Related]

  • 4. On the origin of cis/trans stereoselectivity in intramolecular Diels-Alder reactions of substituted pentadienyl acrylates: a comprehensive density functional study.
    Paddon-Row MN, Moran D, Jones GA, Sherburn MS.
    J Org Chem; 2005 Dec 23; 70(26):10841-53. PubMed ID: 16356007
    [Abstract] [Full Text] [Related]

  • 5. Modeling H-bonding and solvent effects in the alkylation of pyrimidine bases by a prototype quinone methide: a DFT study.
    Freccero M, Di Valentin C, Sarzi-Amadè M, DFT study.
    J Am Chem Soc; 2003 Mar 26; 125(12):3544-53. PubMed ID: 12643716
    [Abstract] [Full Text] [Related]

  • 6. A computational study of the Diels-Alder reaction of ethyl-S-lactyl acrylate and cyclopentadiene. Origins of stereoselectivity.
    Bakalova SM, Santos AG.
    J Org Chem; 2004 Nov 26; 69(24):8475-81. PubMed ID: 15549823
    [Abstract] [Full Text] [Related]

  • 7. Mechanism of scandium ion catalyzed Diels-Alder reaction of anthracenes with methyl vinyl ketone.
    Fukuzumi S, Yuasa J, Miyagawa T, Suenobu T.
    J Phys Chem A; 2005 Apr 14; 109(14):3174-81. PubMed ID: 16833646
    [Abstract] [Full Text] [Related]

  • 8. Stereoselectivity in Diels-Alder reactions of diene-substituted N-alkoxycarbonyl-1,2-dihydropyridines.
    Krow GR, Huang Q, Szczepanski SW, Hausheer FH, Carroll PJ.
    J Org Chem; 2007 Apr 27; 72(9):3458-66. PubMed ID: 17394357
    [Abstract] [Full Text] [Related]

  • 9. Toward an understanding of the catalytic role of hydrogen-bond donor solvents in the hetero-Diels-Alder reaction between acetone and butadiene derivative.
    Polo V, Domingo LR, Andrés J.
    J Phys Chem A; 2005 Nov 17; 109(45):10438-44. PubMed ID: 16833341
    [Abstract] [Full Text] [Related]

  • 10. Enantioselective organocatalytic Diels-Alder reactions: a density functional theory and kinetic isotope effects study.
    Omar NY, Rahman NA, Zain SM.
    J Comput Chem; 2011 Jul 15; 32(9):1813-23. PubMed ID: 21455954
    [Abstract] [Full Text] [Related]

  • 11. Origins of stereoselectivity in the Diels-Alder addition of chiral hydroxyalkyl vinyl ketones to cyclopentadiene: a quantitative computational study.
    Bakalova SM, Kaneti J.
    J Phys Chem A; 2008 Dec 18; 112(50):13006-16. PubMed ID: 18637663
    [Abstract] [Full Text] [Related]

  • 12. Topological analysis of the electronic charge density in the ethene protonation reaction catalyzed by acidic zeolite.
    Zalazar MF, Peruchena NM.
    J Phys Chem A; 2007 Aug 16; 111(32):7848-59. PubMed ID: 17658733
    [Abstract] [Full Text] [Related]

  • 13. Toward an understanding of the unexpected regioselective hetero-Diels-Alder reactions of asymmetric tetrazines with electron-rich ethylenes: a DFT study.
    Domingo LR, Picher MT, Sáez JA.
    J Org Chem; 2009 Apr 03; 74(7):2726-35. PubMed ID: 19260699
    [Abstract] [Full Text] [Related]

  • 14. New findings on the Diels-Alder reactions. An analysis based on the bonding evolution theory.
    Berski S, Andrés J, Silvi B, Domingo LR.
    J Phys Chem A; 2006 Dec 28; 110(51):13939-47. PubMed ID: 17181354
    [Abstract] [Full Text] [Related]

  • 15. Quantum chemical study of low temperature oxidation mechanism of dibenzofuran.
    Altarawneh M, Dlugogorski BZ, Kennedy EM, Mackie JC.
    J Phys Chem A; 2006 Dec 21; 110(50):13560-7. PubMed ID: 17165883
    [Abstract] [Full Text] [Related]

  • 16. Thioformaldehyde S-methylide and thioacetone S-methylide: an ab initio MO study of structure and cycloaddition reactivity.
    Sustmann R, Sicking W, Huisgen R.
    Chemistry; 2003 May 23; 9(10):2245-55. PubMed ID: 12772299
    [Abstract] [Full Text] [Related]

  • 17. An understanding of the electrophilic/nucleophilic behavior of electro-deficient 2,3-disubstituted 1,3-butadienes in polar diels-alder reactions. A density functional theory study.
    Domingo LR, Chamorro E, Pérez P.
    J Phys Chem A; 2008 May 01; 112(17):4046-53. PubMed ID: 18370427
    [Abstract] [Full Text] [Related]

  • 18. Transition state distortion energies correlate with activation energies of 1,4-dihydrogenations and Diels-Alder cycloadditions of aromatic molecules.
    Hayden AE, Houk KN.
    J Am Chem Soc; 2009 Mar 25; 131(11):4084-9. PubMed ID: 19256544
    [Abstract] [Full Text] [Related]

  • 19. 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
    [Abstract] [Full Text] [Related]

  • 20. Thermodynamic properties (enthalpy, bond energy, entropy, and heat capacity) and internal rotor potentials of vinyl alcohol, methyl vinyl ether, and their corresponding radicals.
    da Silva G, Kim CH, Bozzelli JW.
    J Phys Chem A; 2006 Jun 29; 110(25):7925-34. PubMed ID: 16789782
    [Abstract] [Full Text] [Related]

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