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Journal Abstract Search

441 related items for PubMed ID: 19663407

  • 1. Diels-Alder reaction between cyclopentadiene and C60: an analysis of the performance of the ONIOM method for the study of chemical reactivity in fullerenes and nanotubes.
    Osuna S, Morera J, Cases M, Morokuma K, Solà M.
    J Phys Chem A; 2009 Sep 03; 113(35):9721-6. PubMed ID: 19663407
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  • 6. 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
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  • 7. Improving the accuracy of low level quantum chemical calculation for absorption energies: the genetic algorithm and neural network approach.
    Gao T, Shi LL, Li HB, Zhao SS, Li H, Sun SL, Su ZM, Lu YH.
    Phys Chem Chem Phys; 2009 Jul 07; 11(25):5124-9. PubMed ID: 19562144
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  • 8. Organic functionalization of the sidewalls of carbon nanotubes by diels-alder reactions: a theoretical prediction.
    Lu X, Tian F, Wang N, Zhang Q.
    Org Lett; 2002 Nov 28; 4(24):4313-5. PubMed ID: 12443086
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  • 9. Effect of Lewis acid catalysts on Diels-Alder and hetero-Diels-Alder cycloadditions sharing a common transition state.
    Celebi-Olçüm N, Ess DH, Aviyente V, Houk KN.
    J Org Chem; 2008 Oct 03; 73(19):7472-80. PubMed ID: 18781801
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  • 10. Structures, stabilities, and electronic and optical properties of C62 fullerene isomers.
    Cui YH, Chen DL, Tian WQ, Feng JK.
    J Phys Chem A; 2007 Aug 16; 111(32):7933-9. PubMed ID: 17629257
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  • 12. Computations of model narrow nanotubes closed by fragments of smaller fullerenes and quasi-fullerenes.
    Slanina Z, Uhlík F, Adamowicz L.
    J Mol Graph Model; 2003 Jun 16; 21(6):517-22. PubMed ID: 12676238
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  • 13. Approaches to open fullerenes: synthesis and kinetic stability of diels-alder adducts of substituted isobenzofurans and C60.
    Chuang SC, Sander M, Jarrosson T, James S, Rozumov E, Khan SI, Rubin Y.
    J Org Chem; 2007 Apr 13; 72(8):2716-23. PubMed ID: 17367186
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  • 16. Cycloaddition reactions of butadiene and 1,3-dipoles to curved arenes, fullerenes, and nanotubes: theoretical evaluation of the role of distortion energies on activation barriers.
    Osuna S, Houk KN.
    Chemistry; 2009 Dec 07; 15(47):13219-31. PubMed ID: 19876972
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  • 17. Competitive Diels-Alder reactions: cyclopentadiene and phospholes with butadiene.
    Dinadayalane TC, Gayatri G, Sastry GN, Leszczynski J.
    J Phys Chem A; 2005 Oct 20; 109(41):9310-23. PubMed ID: 16833273
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  • 18. Multilayer formulation of the fragment molecular orbital method (FMO).
    Fedorov DG, Ishida T, Kitaura K.
    J Phys Chem A; 2005 Mar 24; 109(11):2638-46. PubMed ID: 16833570
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  • 19. Local modifications of single-wall carbon nanotubes induced by bond formation with encapsulated fullerenes.
    Yumura T, Kertesz M, Iijima S.
    J Phys Chem B; 2007 Feb 08; 111(5):1099-109. PubMed ID: 17266263
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