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Journal Abstract Search

276 related items for PubMed ID: 18510372

  • 1. Calculation of quantum-mechanical descriptors for QSPR at the DFT level: is it necessary?
    Puzyn T, Suzuki N, Haranczyk M, Rak J.
    J Chem Inf Model; 2008 Jun; 48(6):1174-80. PubMed ID: 18510372
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  • 3. Quantitative structure-activity relationship for cyclic imide derivatives of protoporphyrinogen oxidase inhibitors: a study of quantum chemical descriptors from density functional theory.
    Wan J, Zhang L, Yang G, Zhan CG.
    J Chem Inf Comput Sci; 2004 Jun; 44(6):2099-105. PubMed ID: 15554680
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  • 9. Estimation of Mayr electrophilicity with a quantitative structure-property relationship approach using empirical and DFT descriptors.
    Pereira F, Latino DA, Aires-de-Sousa J.
    J Org Chem; 2011 Nov 18; 76(22):9312-9. PubMed ID: 21970444
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  • 12. QSPR for prediction of subcooled vapor pressures (log PL) of polychlorinated trans-azobenzenes.
    Wilczyńska-Piliszek AJ, Piliszek S, Falandysz J.
    J Environ Sci Health B; 2012 Nov 18; 47(7):660-9. PubMed ID: 22560028
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  • 15. QSPR models for polychlorinated biphenyls: n-Octanol/water partition coefficient.
    Padmanabhan J, Parthasarathi R, Subramanian V, Chattaraj PK.
    Bioorg Med Chem; 2006 Feb 15; 14(4):1021-8. PubMed ID: 16214354
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  • 16. Theoretical characterization of gas-liquid chromatographic stationary phases with quantum chemical descriptors.
    Hoffmann EA, Fekete ZA, Rajkó R, Pálinkó I, Körtvélyesi T.
    J Chromatogr A; 2009 Mar 20; 1216(12):2540-7. PubMed ID: 19195662
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  • 17. Validation of semiempirical methods for modeling of corrinoid systems.
    Kwiecień RA, Rostkowski M, Dybała-Defratyka A, Paneth P.
    J Inorg Biochem; 2004 Jun 20; 98(6):1078-86. PubMed ID: 15149818
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