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Journal Abstract Search

246 related items for PubMed ID: 17042473

  • 1. Modeling enzymatic reactions involving transition metals.
    Siegbahn PE, Borowski T.
    Acc Chem Res; 2006 Oct; 39(10):729-38. PubMed ID: 17042473
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  • 2. Aromaticity and antiaromaticity in transition-metal systems.
    Zubarev DY, Averkiev BB, Zhai HJ, Wang LS, Boldyrev AI.
    Phys Chem Chem Phys; 2008 Jan 14; 10(2):257-67. PubMed ID: 18213412
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  • 3. Accurate theoretical chemistry with coupled pair models.
    Neese F, Hansen A, Wennmohs F, Grimme S.
    Acc Chem Res; 2009 May 19; 42(5):641-8. PubMed ID: 19296607
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  • 7. Density functional theory (DFT) and combined quantum mechanical/molecular mechanics (QM/MM) studies on the oxygen activation step in nitric oxide synthase enzymes.
    de Visser SP.
    Biochem Soc Trans; 2009 Apr 19; 37(Pt 2):373-7. PubMed ID: 19290865
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  • 11. Infrared spectra of transition-metal dioxide anions: MO2- (M = Rh, Ir, Pt, Au) in solid argon.
    Gong Y, Zhou M.
    J Phys Chem A; 2009 Apr 30; 113(17):4990-5. PubMed ID: 19334695
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  • 13. QM/MM methods for biomolecular systems.
    Senn HM, Thiel W.
    Angew Chem Int Ed Engl; 2009 Apr 30; 48(7):1198-229. PubMed ID: 19173328
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  • 16. Substrate hydroxylation in methane monooxygenase: quantitative modeling via mixed quantum mechanics/molecular mechanics techniques.
    Gherman BF, Lippard SJ, Friesner RA.
    J Am Chem Soc; 2005 Jan 26; 127(3):1025-37. PubMed ID: 15656641
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  • 17. Comparative assessment of density functional methods for 3d transition-metal chemistry.
    Zhao Y, Truhlar DG.
    J Chem Phys; 2006 Jun 14; 124(22):224105. PubMed ID: 16784261
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  • 19. Treatment of substitution and rearrangement mechanisms of transition metal complexes with quantum chemical methods.
    Rotzinger FP.
    Chem Rev; 2005 Jun 14; 105(6):2003-37. PubMed ID: 15941208
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  • 20. Joint spectroscopic and theoretical investigations of transition metal complexes involving non-innocent ligands.
    Ray K, Petrenko T, Wieghardt K, Neese F.
    Dalton Trans; 2007 Apr 28; (16):1552-66. PubMed ID: 17426855
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