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510 related items for PubMed ID: 18959399

  • 1. Theoretical studies on low-lying electronic states of cyanocarbene HCCN and its ionic states.
    Zhao ZX, Zhang HX, Sun CC.
    J Phys Chem A; 2008 Nov 27; 112(47):12125-31. PubMed ID: 18959399
    [Abstract] [Full Text] [Related]

  • 2. CASSCF/CASPT2 calculation of the low-lying electronic states of the CH3Se neutral radical and its cation.
    Song MX, Zhao ZX, Bai FQ, Liu YJ, Zhang HX, Sun CC.
    J Phys Chem A; 2010 Jul 08; 114(26):7173-8. PubMed ID: 20536214
    [Abstract] [Full Text] [Related]

  • 3. 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
    [Abstract] [Full Text] [Related]

  • 4. Bromine-loss and hydrogen-loss dissociations in low-lying electronic states of the CH3Br+ ion studied using multiconfiguration second-order perturbation theory.
    Xi HW, Huang MB.
    J Phys Chem A; 2006 Jul 06; 110(26):8167-73. PubMed ID: 16805504
    [Abstract] [Full Text] [Related]

  • 5. Dehydrophenylnitrenes: quartet versus doublet states.
    Bettinger HF, Sander W.
    J Am Chem Soc; 2003 Aug 13; 125(32):9726-33. PubMed ID: 12904038
    [Abstract] [Full Text] [Related]

  • 6. Theoretical study of low-lying triplet states of aniline.
    Hou XJ, Quan P, Höltzl T, Veszprémi T, Nguyen MT.
    J Phys Chem A; 2005 Nov 17; 109(45):10396-402. PubMed ID: 16833336
    [Abstract] [Full Text] [Related]

  • 7. A theoretical study on the electronic states and O-loss photodissociation of the NO2(+) ion.
    Chang HB, Huang MB.
    Chemphyschem; 2009 Feb 23; 10(3):582-9. PubMed ID: 19156650
    [Abstract] [Full Text] [Related]

  • 8. DFT study of the geometry and energy order of the low singlet and triplet states of [d4-eta5-CpMo(CO)2X] 16-electron complexes (X = halogen, CN, H, and CH3).
    Hasanayn F, Markarian MZ, Al-Rifai R.
    Inorg Chem; 2004 Jun 14; 43(12):3691-6. PubMed ID: 15180424
    [Abstract] [Full Text] [Related]

  • 9. Quantum chemical characterization of the X((1)A'), a((3)A'') and A((1)A'') states of CHBr and CHI and computed heats of formation for CHI and CI.
    Bacskay GB.
    J Phys Chem A; 2010 Aug 26; 114(33):8625-30. PubMed ID: 20196612
    [Abstract] [Full Text] [Related]

  • 10. Theoretical studies on the low-lying electronic states of the HSO neutral radical and its cation.
    Li BT, Wei ZZ, Zhang HX, Sun CC.
    J Phys Chem A; 2006 Sep 14; 110(36):10643-50. PubMed ID: 16956247
    [Abstract] [Full Text] [Related]

  • 11. A theoretical investigation of the excited states of OCLO radical, cation, and anion using the CASSCF/CASPT2 method.
    Wei ZZ, Li BT, Zhang HX, Sun CC, Han KL.
    J Comput Chem; 2007 Jan 30; 28(2):467-77. PubMed ID: 17186486
    [Abstract] [Full Text] [Related]

  • 12. Ab initio study of the spectroscopy of CH3N and CH3CH2N.
    Hou CY, Zhang HX, Sun CC.
    J Phys Chem A; 2006 Aug 31; 110(34):10260-6. PubMed ID: 16928116
    [Abstract] [Full Text] [Related]

  • 13. High-level ab initio calculations on HGeCl and the equilibrium geometry of the A1A'' state derived from Franck-Condon analysis of the single-vibronic-level emission spectra of HGeCl and DGeCl.
    Mok DK, Chau FT, Lee EP, Dyke JM.
    J Comput Chem; 2010 Feb 31; 31(3):476-91. PubMed ID: 19499544
    [Abstract] [Full Text] [Related]

  • 14. Excited states of dibromine monoxide (Br2O): MRCI, coupled cluster, and density functional studies.
    Grein F.
    J Phys Chem A; 2010 May 27; 114(20):6157-63. PubMed ID: 20420420
    [Abstract] [Full Text] [Related]

  • 15. Low-lying electronic states and Cl-loss photodissociation of the C2H3Cl+ ion studied using multiconfiguration second-order perturbation theory.
    Chang HB, Chen BZ, Huang MB.
    J Phys Chem A; 2008 Feb 28; 112(8):1688-93. PubMed ID: 18247514
    [Abstract] [Full Text] [Related]

  • 16. Photoelectron spectroscopic study of the oxyallyl diradical.
    Ichino T, Villano SM, Gianola AJ, Goebbert DJ, Velarde L, Sanov A, Blanksby SJ, Zhou X, Hrovat DA, Borden WT, Lineberger WC.
    J Phys Chem A; 2011 Mar 10; 115(9):1634-49. PubMed ID: 21323385
    [Abstract] [Full Text] [Related]

  • 17. 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
    [Abstract] [Full Text] [Related]

  • 18. Cl-loss and H-loss dissociations in low-lying electronic states of the CH3Cl+ ion studied using multiconfiguration second-order perturbation theory.
    Xi HW, Huang MB, Chen BZ, Li WZ.
    J Phys Chem A; 2005 May 19; 109(19):4381-7. PubMed ID: 16833769
    [Abstract] [Full Text] [Related]

  • 19. Multireference configuration interaction study of bromocarbenes.
    Standard JM, Steidl RJ, Beecher MC, Quandt RW.
    J Phys Chem A; 2011 Feb 24; 115(7):1243-9. PubMed ID: 21280637
    [Abstract] [Full Text] [Related]

  • 20. 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
    [Abstract] [Full Text] [Related]

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