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Journal Abstract Search

484 related items for PubMed ID: 18688380

  • 21. 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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  • 22. F-loss and H-loss dissociations in low-lying electronic states of the CH3F+ ion studied using multiconfiguration second-order perturbation theory.
    Xi HW, Huang MB, Chen BZ, Li WZ.
    J Phys Chem A; 2005 Oct 13; 109(40):9149-55. PubMed ID: 16332024
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  • 23. Theoretical investigation on the electronic and geometric structure of GaN2+ and GaN4+.
    Tzeli D, Petsalakis ID, Theodorakopoulos G.
    J Phys Chem A; 2007 Sep 13; 111(36):8892-902. PubMed ID: 17711273
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  • 24. Density functional theory calculations of the lowest energy quintet and triplet states of model hemes: role of functional, basis set, and zero-point energy corrections.
    Khvostichenko D, Choi A, Boulatov R.
    J Phys Chem A; 2008 Apr 24; 112(16):3700-11. PubMed ID: 18348545
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  • 25. Quantum dynamics study on multichannel dissociation and isomerization reactions of formaldehyde.
    Yonehara T, Kato S.
    J Chem Phys; 2006 Aug 28; 125(8):084307. PubMed ID: 16965012
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  • 26. The intermolecular potential energy surface of the ground electronic state of the O2-H2 complex.
    Fawzy WM.
    J Chem Phys; 2009 Jul 28; 131(4):044318. PubMed ID: 19655878
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  • 27. Study of the C(3P) + OH(X2Pi) --> CO(X1Sigma(g)+) + H(2S) reaction: a fully global ab initio potential energy surface of the X2A' state.
    Zanchet A, Bussery-Honvault B, Honvault P.
    J Phys Chem A; 2006 Nov 02; 110(43):12017-25. PubMed ID: 17064191
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  • 28. Theoretical study of the mechanism and rate constant of the B + CO2 reaction.
    Poully B, Bergeat A, Hannachi Y.
    J Phys Chem A; 2008 Sep 04; 112(35):8148-53. PubMed ID: 18698740
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  • 29. 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]

  • 30. Ab initio static and molecular dynamics study of 4-styrylpyridine.
    Lawson Daku LM, Linares J, Boillot ML.
    Chemphyschem; 2007 Jun 25; 8(9):1402-16. PubMed ID: 17530730
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  • 31. Dynamics of flexible cycloalkanes. Ab initio and DFT study of the conformational energy hypersurface of cyclononane.
    Suvire FD, Santagata LN, Bombasaro JA, Enriz RD.
    J Comput Chem; 2006 Jan 30; 27(2):188-202. PubMed ID: 16323160
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  • 32. Mono- and dibridged isomers of Si2H3 and Si2H4: the true ground state global minima. Theory and experiment in concert.
    Sari L, McCarthy MC, Schaefer HF, Thaddeus P.
    J Am Chem Soc; 2003 Sep 17; 125(37):11409-17. PubMed ID: 16220964
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  • 33. Spectroscopy of Ar-SH and Ar-SD. II. Determination of the three-dimensional intermolecular potential-energy surface.
    Sumiyoshi Y, Endo Y.
    J Chem Phys; 2005 Aug 01; 123(5):054325. PubMed ID: 16108657
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  • 34. Characterization of the HSiN_HNSi system in its electronic ground state.
    Lind MC, Pickard FC, Ingels JB, Paul A, Yamaguchi Y, Schaefer HF.
    J Chem Phys; 2009 Mar 14; 130(10):104301. PubMed ID: 19292528
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  • 35. The Na(+)-H(2) cation complex: Rotationally resolved infrared spectrum, potential energy surface, and rovibrational calculations.
    Poad BL, Wearne PJ, Bieske EJ, Buchachenko AA, Bennett DI, Kłos J, Alexander MH.
    J Chem Phys; 2008 Nov 14; 129(18):184306. PubMed ID: 19045402
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  • 36. Rate constant for OH(2 Pi)+O(3P)-->H(2S)+O2(3 Sigma g-) reaction on an improved ab initio potential energy surface and implications for the interstellar oxygen problem.
    Xu C, Xie D, Honvault P, Lin SY, Guo H.
    J Chem Phys; 2007 Jul 14; 127(2):024304. PubMed ID: 17640125
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  • 37. Computational study of the release of H2 from ammonia borane dimer (BH3NH3)2 and its ion pair isomers.
    Nguyen VS, Matus MH, Grant DJ, Nguyen MT, Dixon DA.
    J Phys Chem A; 2007 Sep 13; 111(36):8844-56. PubMed ID: 17705356
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  • 38. On the nature of the unusually long OO bond in HO(3) and HO(4) radicals.
    Mansergas A, Anglada JM, Olivella S, Ruiz-López MF, Martins-Costa M.
    Phys Chem Chem Phys; 2007 Nov 28; 9(44):5865-73. PubMed ID: 17989793
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  • 39. An exploration of electronic structure and nuclear dynamics in tropolone: II. The A (1)B2 (pi* pi) excited state.
    Burns LA, Murdock D, Vaccaro PH.
    J Chem Phys; 2009 Apr 14; 130(14):144304. PubMed ID: 19368442
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  • 40. State-resolved unimolecular dissociation of cis-cis HOONO: Product state distributions and action spectrum in the 2nuOH band region.
    Matthews J, Sinha A.
    J Chem Phys; 2005 Mar 08; 122(10):104313. PubMed ID: 15836321
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