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PUBMED FOR HANDHELDS

Journal Abstract Search


391 related items for PubMed ID: 18213608

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  • 3. The Diels-Alder reaction of ethene and 1,3-butadiene: an extended multireference ab initio investigation.
    Lischka H, Ventura E, Dallos M.
    Chemphyschem; 2004 Sep 20; 5(9):1365-71. PubMed ID: 15499852
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  • 4. Equilibrium structures for butadiene and ethylene: compelling evidence for pi-electron delocalization in butadiene.
    Craig NC, Groner P, McKean DC.
    J Phys Chem A; 2006 Jun 15; 110(23):7461-9. PubMed ID: 16759136
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  • 5. Applications of the ETS-NOCV method in descriptions of chemical reactions.
    Mitoraj MP, Parafiniuk M, Srebro M, Handzlik M, Buczek A, Michalak A.
    J Mol Model; 2011 Sep 15; 17(9):2337-52. PubMed ID: 21445707
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  • 8. Transition-density-fragment interaction combined with transfer integral approach for excitation-energy transfer via charge-transfer states.
    Fujimoto KJ.
    J Chem Phys; 2012 Jul 21; 137(3):034101. PubMed ID: 22830677
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  • 14. Ab initio multiple spawning dynamics of excited butadiene: role of charge transfer.
    Levine BG, Martínez TJ.
    J Phys Chem A; 2009 Nov 19; 113(46):12815-24. PubMed ID: 19813720
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  • 18. Advancing beyond charge analysis using the electronic localization function: Chemically intuitive distribution of electrostatic moments.
    Pilmé J, Piquemal JP.
    J Comput Chem; 2008 Jul 15; 29(9):1440-9. PubMed ID: 18293309
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  • 19. Intramolecular hetero-Diels-Alder reactions of imine and iminium dienophiles: quantum mechanical exploration of mechanisms and stereoselectivities.
    Iafe RG, Houk KN.
    J Org Chem; 2008 Apr 04; 73(7):2679-86. PubMed ID: 18327949
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  • 20. Reaction energetics on long-range corrected density functional theory: Diels-Alder reactions.
    Singh RK, Tsuneda T.
    J Comput Chem; 2013 Feb 15; 34(5):379-86. PubMed ID: 23037888
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