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125 related items for PubMed ID: 14735567

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  • 3. The ground and excited states of polyenyl radicals C2n-1H2n + 1 (n = 2-13): a valence bond study.
    Luo Y, Song L, Wu W, Danovich D, Shaik S.
    Chemphyschem; 2004 Apr 19; 5(4):515-28. PubMed ID: 15139226
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  • 4. Restoring the size consistency of multireference configuration interactions through class dressings: applications to ground and excited states.
    Ben Amor N, Maynau D, Malrieu JP, Monari A.
    J Chem Phys; 2008 Aug 14; 129(6):064112. PubMed ID: 18715056
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  • 5. The Menshutkin reaction in the gas phase and in aqueous solution: a valence bond study.
    Su P, Ying F, Wu W, Hiberty PC, Shaik S.
    Chemphyschem; 2007 Dec 21; 8(18):2603-14. PubMed ID: 18061916
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  • 10. SPOCK.CI: a multireference spin-orbit configuration interaction method for large molecules.
    Kleinschmidt M, Tatchen J, Marian CM.
    J Chem Phys; 2006 Mar 28; 124(12):124101. PubMed ID: 16599656
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  • 11. Theoretical thermodynamics for large molecules: walking the thin line between accuracy and computational cost.
    Schwabe T, Grimme S.
    Acc Chem Res; 2008 Apr 28; 41(4):569-79. PubMed ID: 18324790
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  • 12. Double-hybrid density functional theory for excited electronic states of molecules.
    Grimme S, Neese F.
    J Chem Phys; 2007 Oct 21; 127(15):154116. PubMed ID: 17949141
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  • 16. Multireference perturbation theory with optimized partitioning. II. Applications to molecular systems.
    Witek HA, Nakano H, Hirao K.
    J Comput Chem; 2003 Sep 21; 24(12):1390-400. PubMed ID: 12868104
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  • 18. Reducing CAS-SDCI space. Using selected spaces in configuration interaction calculations in an efficient way.
    Pitarch-Ruiz J, Sánchez-Marín J, Maynau D.
    J Comput Chem; 2002 Sep 21; 23(12):1157-65. PubMed ID: 12116385
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  • 19. Accurately solving the electronic Schrodinger equation of small atoms and molecules using explicitly correlated (r12-)MR-CI. VIII. Valence excited states of methylene (CH2).
    Flores JR, Gdanitz RJ.
    J Chem Phys; 2005 Oct 08; 123(14):144316. PubMed ID: 16238400
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  • 20. On the nature of the pi --> pi* ionic excited states: the V state of ethene as a prototype.
    Angeli C.
    J Comput Chem; 2009 Jun 08; 30(8):1319-33. PubMed ID: 19009592
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