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Journal Abstract Search

221 related items for PubMed ID: 23957772

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  • 3. Benchmark calculations on the electron detachment energies of MO3* and M2O6* (M = Cr, Mo, W).
    Li S, Dixon DA.
    J Phys Chem A; 2007 Nov 22; 111(46):11908-21. PubMed ID: 17958402
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  • 4. Theoretical and experimental investigations of the electronic Rydberg states of diazomethane: assignments and state interactions.
    Fedorov I, Koziol L, Li G, Parr JA, Krylov AI, Reisler H.
    J Phys Chem A; 2007 May 31; 111(21):4557-66. PubMed ID: 17480063
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  • 5. Characterization of singlet ground and low-lying electronic excited states of phosphaethyne and isophosphaethyne.
    Ingels JB, Turney JM, Richardson NA, Yamaguchi Y, Schaefer HF.
    J Chem Phys; 2006 Sep 14; 125(10):104306. PubMed ID: 16999525
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  • 6. Simulation of circularly polarized luminescence spectra using coupled cluster theory.
    McAlexander HR, Crawford TD.
    J Chem Phys; 2015 Apr 21; 142(15):154101. PubMed ID: 25903860
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  • 8. Why do TD-DFT excitation energies of BODIPY/Aza-BODIPY families largely deviate from experiment? Answers from electron correlated and multireference methods.
    Momeni MR, Brown A.
    J Chem Theory Comput; 2015 Jun 09; 11(6):2619-32. PubMed ID: 26575559
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  • 10. Electronic structures and electron detachment energies of halogen substituted acetate anions, XCH2COO- (X=F,Cl,Br).
    Yu W, Lin Z, Ding C.
    J Chem Phys; 2007 Mar 21; 126(11):114301. PubMed ID: 17381200
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  • 14. On the accuracy of computed excited-state dipole moments.
    King RA.
    J Phys Chem A; 2008 Jun 26; 112(25):5727-33. PubMed ID: 18517183
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  • 17. Singly and doubly excited states of butadiene, acrolein, and glyoxal: Geometries and electronic spectra.
    Saha B, Ehara M, Nakatsuji H.
    J Chem Phys; 2006 Jul 07; 125(1):014316. PubMed ID: 16863307
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  • 19. Molecular structures and energetics of the (ZrO(2))(n) and (HfO(2))(n) (n = 1-4) clusters and their anions.
    Li S, Dixon DA.
    J Phys Chem A; 2010 Feb 25; 114(7):2665-83. PubMed ID: 20128586
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