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208 related items for PubMed ID: 15740154

  • 1. Chemical behavior of the biradicaloid (HO...ONO) singlet states of peroxynitrous acid. The oxidation of hydrocarbons, sulfides, and selenides.
    Bach RD, Dmitrenko O, Estévez CM.
    J Am Chem Soc; 2005 Mar 09; 127(9):3140-55. PubMed ID: 15740154
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  • 2. Theoretical analysis of peroxynitrous acid: characterization of its elusive biradicaloid (HO...ONO) singlet states.
    Bach RD, Dmitrenko O, Estévez CM.
    J Am Chem Soc; 2003 Dec 31; 125(52):16204-5. PubMed ID: 14692758
    [Abstract] [Full Text] [Related]

  • 3. Electron localization function and electron localizability indicator applied to study the bonding in the peroxynitrous acid HOONO.
    Berski S, Latajka Z, Gordon AJ.
    J Comput Chem; 2011 Jun 31; 32(8):1528-40. PubMed ID: 21284004
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  • 5. DFT/TDDFT exploration of the potential energy surfaces of the ground state and excited states of Fe2(S2C3H6)(CO)6: a simple functional model of the [FeFe] hydrogenase active site.
    Bertini L, Greco C, De Gioia L, Fantucci P.
    J Phys Chem A; 2009 May 14; 113(19):5657-70. PubMed ID: 19378958
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  • 7. Pulsed laser photolysis and quantum chemical-statistical rate study of the reaction of the ethynyl radical with water vapor.
    Carl SA, Nguyen HM, Elsamra RM, Nguyen MT, Peeters J.
    J Chem Phys; 2005 Mar 15; 122(11):114307. PubMed ID: 15836215
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  • 8. Novel pathways for oxygen insertion into unactivated C-H bonds by dioxiranes. Transition structures for stepwise routes via radical pairs and comparison with the concerted pathway.
    Freccero M, Gandolfi R, Sarzi-Amadè M, Rastelli A.
    J Org Chem; 2003 Feb 07; 68(3):811-23. PubMed ID: 12558403
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  • 9. Potential energy surface and quantum dynamics study of rovibrational states for HO(3) (X (2)A'').
    Braams BJ, Yu HG.
    Phys Chem Chem Phys; 2008 Jun 07; 10(21):3150-5. PubMed ID: 18688380
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  • 12. Free-energy simulations of the retinal cis --> trans isomerization in bacteriorhodopsin.
    Hermone A, Kuczera K.
    Biochemistry; 1998 Mar 03; 37(9):2843-53. PubMed ID: 9485435
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  • 13. Intersystem crossings of the triplet and singlet States in cobalt and copper mononitrosyls.
    Uzunova EL.
    J Phys Chem A; 2009 Oct 22; 113(42):11266-72. PubMed ID: 19788202
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  • 14. Peroxynitrate and peroxynitrite: a complete basis set investigation of similarities and differences between these NOx species.
    Olson LP, Bartberger MD, Houk KN.
    J Am Chem Soc; 2003 Apr 02; 125(13):3999-4006. PubMed ID: 12656637
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  • 15. Oxidation of tryptamine and 5-hydroxytryptamine: a pulse radiolysis and quantum chemical study.
    Gaikwad P, Priyadarsini KI, Naumov S, Rao BS.
    J Phys Chem A; 2009 Jul 23; 113(29):8249-57. PubMed ID: 19569709
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  • 16. Insights into the structure and reactivity of acylperoxo complexes in the Kochi-Jacobsen-Katsuki catalytic system. A density functional study.
    Khavrutskii IV, Musaev DG, Morokuma K.
    J Am Chem Soc; 2003 Nov 12; 125(45):13879-89. PubMed ID: 14599228
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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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  • 18. Role of the somersault rearrangement in the oxidation step for flavin monooxygenases (FMO). A comparison between FMO and conventional xenobiotic oxidation with hydroperoxides.
    Bach RD.
    J Phys Chem A; 2011 Oct 13; 115(40):11087-100. PubMed ID: 21888352
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  • 19. Characterization of the methoxy carbonyl radical formed via photolysis of methyl chloroformate at 193.3 nm.
    Bell MJ, Lau KC, Krisch MJ, Bennett DI, Butler LJ, Weinhold F.
    J Phys Chem A; 2007 Mar 15; 111(10):1762-70. PubMed ID: 17309241
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  • 20. Predictions of the geometries and fluorescence emission energies of oxyluciferins.
    Yang T, Goddard JD.
    J Phys Chem A; 2007 May 24; 111(20):4489-97. PubMed ID: 17451230
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