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803 related items for PubMed ID: 15268250

  • 1. CASSCF and CASPT2 studies on the structures, transition energies, and dipole moments of ground and excited states for azulene.
    Murakami A, Kobayashi T, Goldberg A, Nakamura S.
    J Chem Phys; 2004 Jan 15; 120(3):1245-52. PubMed ID: 15268250
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  • 2. The ground and two lowest-lying singlet excited electronic states of copper hydroxide (CuOH).
    Wang S, Paul A, DeYonker NJ, Yamaguchi Y, Schaefer HF.
    J Chem Phys; 2005 Jul 01; 123(1):014313. PubMed ID: 16035841
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  • 4. X, A, B, C, and D states of the C6H5F+ ion studied using multiconfiguration wave functions.
    Yu SY, Huang MB, Li WZ.
    J Phys Chem A; 2006 Jan 26; 110(3):1078-83. PubMed ID: 16420011
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  • 5. Low-lying electronic states and Cl-loss photodissociation of the C2H3Cl+ ion studied using multiconfiguration second-order perturbation theory.
    Chang HB, Chen BZ, Huang MB.
    J Phys Chem A; 2008 Feb 28; 112(8):1688-93. PubMed ID: 18247514
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  • 6. Electronic structures of low-lying Bu excited states in trans-oligoenes: Pariser-Parr-Pople and ab initio calculations.
    Zhang D, Liu C.
    J Chem Phys; 2011 Oct 07; 135(13):134117. PubMed ID: 21992292
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  • 7. Density functional calculations of the vibronic structure of electronic absorption spectra.
    Dierksen M, Grimme S.
    J Chem Phys; 2004 Feb 22; 120(8):3544-54. PubMed ID: 15268516
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  • 8. The electronic spectrum of AgCl2: ab initio benchmark versus density-functional theory calculations on the lowest ligand-field states including spin-orbit effects.
    Ramírez-Solís A, Poteau R, Daudey JP.
    J Chem Phys; 2006 Jan 21; 124(3):034307. PubMed ID: 16438583
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  • 12. Density functional theory and multireference configuration interaction studies on low-lying excited states of TiO2.
    Grein F.
    J Chem Phys; 2007 Jan 21; 126(3):034313. PubMed ID: 17249877
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  • 13. Relativistic calculations of ground and excited states of LiYb molecule for ultracold photoassociation spectroscopy studies.
    Gopakumar G, Abe M, Das BP, Hada M, Hirao K.
    J Chem Phys; 2010 Sep 28; 133(12):124317. PubMed ID: 20886942
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  • 15. A theoretical investigation of the excited states of OCLO radical, cation, and anion using the CASSCF/CASPT2 method.
    Wei ZZ, Li BT, Zhang HX, Sun CC, Han KL.
    J Comput Chem; 2007 Jan 30; 28(2):467-77. PubMed ID: 17186486
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  • 18. Photoelectron spectroscopic study of the oxyallyl diradical.
    Ichino T, Villano SM, Gianola AJ, Goebbert DJ, Velarde L, Sanov A, Blanksby SJ, Zhou X, Hrovat DA, Borden WT, Lineberger WC.
    J Phys Chem A; 2011 Mar 10; 115(9):1634-49. PubMed ID: 21323385
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  • 20. Low-lying electronic states and their nonradiative deactivation of thieno[3,4-b]pyrazine: an ab initio study.
    Guo X, Cao Z.
    J Chem Phys; 2012 Dec 14; 137(22):224313. PubMed ID: 23249009
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