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524 related items for PubMed ID: 16833336

  • 1.
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  • 2. 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
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  • 3.
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  • 4. 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]

  • 5. 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]

  • 6. 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]

  • 7. 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
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  • 8. 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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  • 9. Singlet and triplet excited states and intersystem crossing in free-base porphyrin: TDDFT and DFT/MRCI study.
    Perun S, Tatchen J, Marian CM.
    Chemphyschem; 2008 Feb 01; 9(2):282-92. PubMed ID: 18189251
    [Abstract] [Full Text] [Related]

  • 10. 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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  • 11. Dehydrophenylnitrenes: quartet versus doublet states.
    Bettinger HF, Sander W.
    J Am Chem Soc; 2003 Aug 13; 125(32):9726-33. PubMed ID: 12904038
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  • 12. Scope and limitations of Baird's theory on triplet state aromaticity: application to the tuning of singlet-triplet energy gaps in fulvenes.
    Ottosson H, Kilså K, Chajara K, Piqueras MC, Crespo R, Kato H, Muthas D.
    Chemistry; 2007 Aug 13; 13(24):6998-7005. PubMed ID: 17562534
    [Abstract] [Full Text] [Related]

  • 13. Photodissociation mechanism of nitramide: a CAS-SCF and MS-CASPT2 study.
    Arenas JF, Otero JC, Pelaez D, Soto J.
    J Phys Chem A; 2005 Aug 18; 109(32):7172-80. PubMed ID: 16834081
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  • 14. 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]

  • 15. 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]

  • 16. 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
    [Abstract] [Full Text] [Related]

  • 17. 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]

  • 18. 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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  • 20. 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]

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