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1407 related items for PubMed ID: 17480063

  • 21. Electronically excited and ionized states of the CH2CH2OH radical: a theoretical study.
    Karpichev B, Koziol L, Diri K, Reisler H, Krylov AI.
    J Chem Phys; 2010 Mar 21; 132(11):114308. PubMed ID: 20331298
    [Abstract] [Full Text] [Related]

  • 22. Singly and doubly excited states of butadiene, acrolein, and glyoxal: Geometries and electronic spectra.
    Saha B, Ehara M, Nakatsuji H.
    J Chem Phys; 2006 Jul 07; 125(1):014316. PubMed ID: 16863307
    [Abstract] [Full Text] [Related]

  • 23. On the structure and chemical bonding of Si6(2-) and Si6(2-) in NaSi6(-) upon Na+ coordination.
    Zubarev DY, Alexandrova AN, Boldyrev AI, Cui LF, Li X, Wang LS.
    J Chem Phys; 2006 Mar 28; 124(12):124305. PubMed ID: 16599672
    [Abstract] [Full Text] [Related]

  • 24. Electronic transitions in cis- and trans-dichloroethylenes and tetrachloroethylene.
    Arulmozhiraja S, Ehara M, Nakatsuji H.
    J Chem Phys; 2008 Nov 07; 129(17):174506. PubMed ID: 19045357
    [Abstract] [Full Text] [Related]

  • 25. Dibenzo-p-dioxin. An ab initio CASSCF/CASPT2 study of the pi-pi* and n-pi* valence excited states.
    Ljubić I, Sabljić A.
    J Phys Chem A; 2005 Sep 15; 109(36):8209-17. PubMed ID: 16834207
    [Abstract] [Full Text] [Related]

  • 26. The electronic states of 1,2,3-triazole studied by vacuum ultraviolet photoabsorption and ultraviolet photoelectron spectroscopy, and a comparison with ab initio configuration interaction methods.
    Palmer MH, Hoffmann SV, Jones NC, Head AR, Lichtenberger DL.
    J Chem Phys; 2011 Feb 28; 134(8):084309. PubMed ID: 21361541
    [Abstract] [Full Text] [Related]

  • 27. Excited electronic states of thiophene: high resolution photoabsorption Fourier transform spectroscopy and ab initio calculations.
    Holland DM, Trofimov AB, Seddon EA, Gromov EV, Korona T, de Oliveira N, Archer LE, Joyeux D, Nahon L.
    Phys Chem Chem Phys; 2014 Oct 21; 16(39):21629-44. PubMed ID: 25196806
    [Abstract] [Full Text] [Related]

  • 28. The electronic spectrum of the fluoroborane free radical. I. Theoretical calculation of the vibronic energy levels of the ground and first excited electronic states.
    Sunahori FX, Clouthier DJ, Carter S, Tarroni R.
    J Chem Phys; 2009 Apr 28; 130(16):164309. PubMed ID: 19405581
    [Abstract] [Full Text] [Related]

  • 29. Ab initio calculations on low-lying electronic states of SbO2- and Franck-Condon simulation of its photodetachment spectrum.
    Lee EP, Dyke JM, Mok DK, Chau FT, Chow WK.
    J Chem Phys; 2007 Sep 07; 127(9):094306. PubMed ID: 17824738
    [Abstract] [Full Text] [Related]

  • 30. 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
    [Abstract] [Full Text] [Related]

  • 31. Photoelectron spectroscopy of the doubly-charged anions [MIVO(mnt)2]2- (M = Mo, W; mnt = S2C2(CN)2(2-): access to the ground and excited states of the [MVO(mnt)2]- anion.
    Waters T, Wang XB, Yang X, Zhang L, O'Hair RA, Wang LS, Wedd AG.
    J Am Chem Soc; 2004 Apr 28; 126(16):5119-29. PubMed ID: 15099095
    [Abstract] [Full Text] [Related]

  • 32. The valence and Rydberg states of difluoromethane: A combined experimental vacuum ultraviolet spectrum absorption and theoretical study by ab initio configuration interaction and density functional computations.
    Palmer MH, Vrønning Hoffmann S, Jones NC, Coreno M, de Simone M, Grazioli C.
    J Chem Phys; 2018 Jun 07; 148(21):214304. PubMed ID: 29884032
    [Abstract] [Full Text] [Related]

  • 33. High-resolution millimeter wave spectroscopy and multichannel quantum defect theory of the hyperfine structure in high Rydberg states of molecular hydrogen H2.
    Osterwalder A, Wüest A, Merkt F, Jungen Ch.
    J Chem Phys; 2004 Dec 15; 121(23):11810-38. PubMed ID: 15634145
    [Abstract] [Full Text] [Related]

  • 34. Theoretical description of electronically excited vinylidene up to 10 eV: first high level ab initio study of singlet valence and Rydberg states.
    Boyé-Péronne S, Gauyacq D, Liévin J.
    J Chem Phys; 2014 Nov 07; 141(17):174317. PubMed ID: 25381524
    [Abstract] [Full Text] [Related]

  • 35. Ion-pair dissociation of N2O in the 16.25-16.41 eV: dynamics and electronic structure.
    Zhou C, Mo Y.
    J Chem Phys; 2008 Aug 14; 129(6):064312. PubMed ID: 18715074
    [Abstract] [Full Text] [Related]

  • 36. Coherent polyatomic dynamics studied by femtosecond time-resolved photoelectron spectroscopy: dissociation of vibrationally excited CS2 in the 6s and 4d Rydberg states.
    Knappenberger KL, Lerch EB, Wen P, Leone SR.
    J Chem Phys; 2006 Nov 07; 125(17):174314. PubMed ID: 17100446
    [Abstract] [Full Text] [Related]

  • 37. An ab initio study of the low-lying electronic states of YO2 and Franck-Condon simulation of the first photodetachment band of YO2(-).
    Lee EP, Dyke JM, Mok DK, Chau FT.
    J Phys Chem A; 2008 May 15; 112(19):4511-20. PubMed ID: 18422292
    [Abstract] [Full Text] [Related]

  • 38.
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  • 39. Electronic spectra of the linear polyyne cations HC(2n)H(+) (n=2-8): An ab initio study.
    Zhang J, Guo X, Cao Z.
    J Chem Phys; 2009 Oct 14; 131(14):144307. PubMed ID: 19831441
    [Abstract] [Full Text] [Related]

  • 40. The triplet state of cytosine and its derivatives: electron impact and quantum chemical study.
    Abouaf R, Pommier J, Dunet H, Quan P, Nam PC, Nguyen MT.
    J Chem Phys; 2004 Dec 15; 121(23):11668-74. PubMed ID: 15634133
    [Abstract] [Full Text] [Related]

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