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Journal Abstract Search

782 related items for PubMed ID: 18714972

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  • 2. A benchmark theoretical study of the electronic ground state and of the singlet-triplet split of benzene and linear acenes.
    Hajgató B, Szieberth D, Geerlings P, De Proft F, Deleuze MS.
    J Chem Phys; 2009 Dec 14; 131(22):224321. PubMed ID: 20001050
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  • 3. Application of equation-of-motion coupled-cluster methods to low-lying singlet and triplet electronic states of HBO and BOH.
    DeYonker NJ, Li S, Yamaguchi Y, Schaefer HF, Crawford TD, King RA, Peterson KA.
    J Chem Phys; 2005 Jun 15; 122(23):234316. PubMed ID: 16008450
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  • 8. Parallel multireference configuration interaction calculations on mini-beta-carotenes and beta-carotene.
    Kleinschmidt M, Marian CM, Waletzke M, Grimme S.
    J Chem Phys; 2009 Jan 28; 130(4):044708. PubMed ID: 19191405
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  • 13. Dehydrophenylnitrenes: quartet versus doublet states.
    Bettinger HF, Sander W.
    J Am Chem Soc; 2003 Aug 13; 125(32):9726-33. PubMed ID: 12904038
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  • 16. Heats of formation and singlet-triplet separations of hydroxymethylene and 1-hydroxyethylidene.
    Matus MH, Nguyen MT, Dixon DA.
    J Phys Chem A; 2006 Jul 20; 110(28):8864-71. PubMed ID: 16836450
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  • 17. Nonadiabatic molecular dynamics simulations of correlated electrons in solution. 1. Full configuration interaction (CI) excited-state relaxation dynamics of hydrated dielectrons.
    Larsen RE, Schwartz BJ.
    J Phys Chem B; 2006 May 18; 110(19):9681-91. PubMed ID: 16686519
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  • 19. Focal point analysis of the singlet-triplet energy gap of octacene and larger acenes.
    Hajgató B, Huzak M, Deleuze MS.
    J Phys Chem A; 2011 Aug 25; 115(33):9282-93. PubMed ID: 21755960
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  • 20. Theoretical study of low-lying triplet states of aniline.
    Hou XJ, Quan P, Höltzl T, Veszprémi T, Nguyen MT.
    J Phys Chem A; 2005 Nov 17; 109(45):10396-402. PubMed ID: 16833336
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