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Journal Abstract Search

583 related items for PubMed ID: 16833480

  • 21. Generalized van Vleck perturbation theory (GVVPT2) study of the excited states of benzene and the azabenzenes.
    Devarajan A, Gaenko AV, Khait YG, Hoffmann MR.
    J Phys Chem A; 2008 Mar 27; 112(12):2677-82. PubMed ID: 18271567
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  • 26. Electronic transitions involved in the absorption spectrum and dual luminescence of tetranuclear cubane [Cu4I4(pyridine)4] cluster: a density functional theory/time-dependent density functional theory investigation.
    De Angelis F, Fantacci S, Sgamellotti A, Cariati E, Ugo R, Ford PC.
    Inorg Chem; 2006 Dec 25; 45(26):10576-84. PubMed ID: 17173412
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  • 27. Excited-state properties and environmental effects for protonated schiff bases: a theoretical study.
    Aquino AJ, Barbatti M, Lischka H.
    Chemphyschem; 2006 Oct 13; 7(10):2089-96. PubMed ID: 16941558
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  • 29. Reconsideration on hydrogen bond strengthening or cleavage of photoexcited coumarin 102 in aqueous solvent: a DFT/TDDFT study.
    Miao C, Shi Y.
    J Comput Chem; 2011 Nov 15; 32(14):3058-61. PubMed ID: 21793009
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  • 32. Early time hydrogen-bonding dynamics of photoexcited coumarin 102 in hydrogen-donating solvents: theoretical study.
    Zhao GJ, Han KL.
    J Phys Chem A; 2007 Apr 05; 111(13):2469-74. PubMed ID: 17388339
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  • 33. Computational analyses of singlet-singlet and singlet-triplet transitions in mononuclear gold-capped carbon-rich conjugated complexes.
    Cao Z, Zhang Q.
    J Comput Chem; 2005 Sep 05; 26(12):1214-21. PubMed ID: 15957180
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  • 34. Ab initio n-electron valence state perturbation theory study of the adiabatic transitions in carbonyl molecules: formaldehyde, acetaldehyde, and acetone.
    Angeli C, Borini S, Ferrighi L, Cimiraglia R.
    J Chem Phys; 2005 Mar 15; 122(11):114304. PubMed ID: 15836212
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  • 36. Ultrafast hydrogen bond strengthening of the photoexcited fluorenone in alcohols for facilitating the fluorescence quenching.
    Zhao GJ, Han KL.
    J Phys Chem A; 2007 Sep 27; 111(38):9218-23. PubMed ID: 17608458
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  • 39. On the properties of microsolvated molecules in the ground (S0) and excited (S1) states: the anisole-ammonia 1:1 complex.
    Biczysko M, Piani G, Pasquini M, Schiccheri N, Pietraperzia G, Becucci M, Pavone M, Barone V.
    J Chem Phys; 2007 Oct 14; 127(14):144303. PubMed ID: 17935391
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  • 40. Nature of the Fe-O2 bonding in oxy-myoglobin: effect of the protein.
    Chen H, Ikeda-Saito M, Shaik S.
    J Am Chem Soc; 2008 Nov 05; 130(44):14778-90. PubMed ID: 18847206
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