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Journal Abstract Search

371 related items for PubMed ID: 19391590

  • 41. Charge parameterization of the metal centers in cytochrome c oxidase.
    Johansson MP, Kaila VR, Laakkonen L.
    J Comput Chem; 2008 Apr 15; 29(5):753-67. PubMed ID: 17876762
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  • 44. Electronic structure of CeF from frozen-core four-component relativistic multiconfigurational quasidegenerate perturbation theory.
    Tatewaki H, Yamamoto S, Watanabe Y, Nakano H.
    J Chem Phys; 2008 Jun 07; 128(21):214901. PubMed ID: 18537445
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  • 47. A mystery solved? Photoelectron spectroscopic and quantum chemical studies of the ion states of CeCp3(+).
    Coates R, Coreno M, DeSimone M, Green JC, Kaltsoyannis N, Kerridge A, Narband N, Sella A.
    Dalton Trans; 2009 Aug 14; (30):5943-53. PubMed ID: 19623395
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  • 52. Electronegativity equalization method: parameterization and validation for organic molecules using the Merz-Kollman-Singh charge distribution scheme.
    Jirousková Z, Vareková RS, Vanek J, Koca J.
    J Comput Chem; 2009 May 14; 30(7):1174-8. PubMed ID: 18988249
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  • 53. Molecular mechanics-valence bond method for planar conjugated hydrocarbon cations.
    Hall KF, Tokmachev AM, Bearpark MJ, Boggio-Pasqua M, Robb MA.
    J Chem Phys; 2007 Oct 07; 127(13):134111. PubMed ID: 17919015
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  • 55. On the basis-set dependence of local and integrated electron density properties: Application of a new computer program for quantum-chemical density analysis.
    Volkov A, Koritsanszky T, Chodkiewicz M, King HF.
    J Comput Chem; 2009 Jul 15; 30(9):1379-91. PubMed ID: 19031414
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  • 57. Species with negative electron affinity and standard DFT methods. Finding the valence anions.
    Puiatti M, Vera DM, Pierini AB.
    Phys Chem Chem Phys; 2008 Mar 14; 10(10):1394-9. PubMed ID: 18309394
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  • 59. The Hartree-Fock-Heitler-London method, III: Correlated diatomic hydrides.
    Corongiu G.
    J Phys Chem A; 2007 Jun 21; 111(24):5333-42. PubMed ID: 17530747
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  • 60. Probing electron transfer processes in YPO(4):Ce, Sm by combined synchrotron-laser excitation spectroscopy.
    Poolton NR, Bos AJ, Jones GO, Dorenbos P.
    J Phys Condens Matter; 2010 May 12; 22(18):185403. PubMed ID: 21393684
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