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Journal Abstract Search

312 related items for PubMed ID: 25903860

  • 1. 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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  • 2. Experimental and calculated CPL spectra and related spectroscopic data of camphor and other simple chiral bicyclic ketones.
    Longhi G, Castiglioni E, Abbate S, Lebon F, Lightner DA.
    Chirality; 2013 Oct 21; 25(10):589-99. PubMed ID: 23840012
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  • 3. The optical activity of β,γ-enones in ground and excited states using circular dichroism and circularly polarized luminescence.
    Pecul M, Ruud K.
    Phys Chem Chem Phys; 2011 Jan 14; 13(2):643-50. PubMed ID: 21031208
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  • 4. UV excitations of halons.
    Stojanović L, Alyoubi AO, Aziz SG, Hilal RH, Barbatti M.
    J Chem Phys; 2016 Nov 14; 145(18):184306. PubMed ID: 27846696
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  • 5. Modelling excited states of weakly bound complexes with density functional theory.
    Briggs EA, Besley NA.
    Phys Chem Chem Phys; 2014 Jul 28; 16(28):14455-62. PubMed ID: 24531883
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  • 8. Magnetic Circular Dichroism of Naphthalene Derivatives: A Coupled Cluster Singles and Approximate Doubles and Time-Dependent Density Functional Theory Study.
    Ghidinelli S, Longhi G, Abbate S, Hättig C, Coriani S.
    J Phys Chem A; 2021 Jan 14; 125(1):243-250. PubMed ID: 33355445
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  • 12. Theoretical studies on the photoelectron and absorption spectra of MnO4(-) and TcO4(-).
    Su J, Xu WH, Xu CF, Schwarz WH, Li J.
    Inorg Chem; 2013 Sep 03; 52(17):9867-74. PubMed ID: 23957772
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  • 14. Benchmarking TD-DFT and Wave Function Methods for Oscillator Strengths and Excited-State Dipole Moments.
    Sarkar R, Boggio-Pasqua M, Loos PF, Jacquemin D.
    J Chem Theory Comput; 2021 Feb 09; 17(2):1117-1132. PubMed ID: 33492950
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  • 16. Excited state absorption of DNA bases in the gas phase and in chloroform solution: a comparative quantum mechanical study.
    Fedotov DA, Paul AC, Koch H, Santoro F, Coriani S, Improta R.
    Phys Chem Chem Phys; 2022 Feb 23; 24(8):4987-5000. PubMed ID: 35142309
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  • 17. 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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  • 19. TD-CI simulation of the electronic optical response of molecules in intense fields II: comparison of DFT functionals and EOM-CCSD.
    Sonk JA, Schlegel HB.
    J Phys Chem A; 2011 Oct 27; 115(42):11832-40. PubMed ID: 21923137
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  • 20. Cis-cis and trans-perp HOONO: action spectroscopy and isomerization kinetics.
    Fry JL, Nizkorodov SA, Okumura M, Roehl CM, Francisco JS, Wennberg PO.
    J Chem Phys; 2004 Jul 15; 121(3):1432-48. PubMed ID: 15260688
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