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557 related items for PubMed ID: 16332024

  • 1. 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]

  • 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
    [Abstract] [Full Text] [Related]

  • 3. 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]

  • 4. 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]

  • 5. X, A, B, C, and D states of the C6H5F+ ion studied using multiconfiguration wave functions.
    Yu SY, Huang MB, Li WZ.
    J Phys Chem A; 2006 Jan 26; 110(3):1078-83. PubMed ID: 16420011
    [Abstract] [Full Text] [Related]

  • 6. 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]

  • 7. 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]

  • 8. Dissociation of the OCS+ ion in low-lying electronic states studied using multiconfiguration second-order perturbation theory.
    Chen BZ, Chang HB, Huang MB.
    J Chem Phys; 2006 Aug 07; 125(5):054310. PubMed ID: 16942216
    [Abstract] [Full Text] [Related]

  • 9. 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]

  • 10. 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]

  • 11. 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]

  • 12. 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]

  • 13. The 1 (2)A(1), 1 (2)B(2), and 1 (2)A(2) states of the SO(2) (+) ion studied using multiconfiguration second-order perturbation theory.
    Li WZ, Huang MB, Chen BZ.
    J Chem Phys; 2004 Mar 08; 120(10):4677-82. PubMed ID: 15267327
    [Abstract] [Full Text] [Related]

  • 14. Theoretical study on HBO+ and HOB+ cations using multiconfiguration second-order perturbation theory.
    Li WZ, Cheng JB, Li QZ, Gong BA, Sun JZ.
    J Comput Chem; 2010 May 08; 31(7):1397-401. PubMed ID: 19847784
    [Abstract] [Full Text] [Related]

  • 15. Study of the C(3P) + OH(X2Pi) --> CO(a3Pi) + H(2S) reaction: fully global ab initio potential energy surfaces of the 12A'' and 14A'' excited states and non adiabatic couplings.
    Zanchet A, Bussery-Honvault B, Jorfi M, Honvault P.
    Phys Chem Chem Phys; 2009 Aug 07; 11(29):6182-91. PubMed ID: 19606328
    [Abstract] [Full Text] [Related]

  • 16. A CAS study on S-loss and O-loss dissociation mechanisms of the SO(2) (+) ion in the C, D, and E states.
    Meng Q, Huang MB.
    J Comput Chem; 2011 Jan 15; 32(1):142-51. PubMed ID: 20652879
    [Abstract] [Full Text] [Related]

  • 17. The role of atomic excited states of Au on N2O capture and activation: a multireference second-order perturbation theory study.
    Olvera-Neria O, Bertin V, Poulain E.
    J Chem Phys; 2010 Dec 28; 133(24):244306. PubMed ID: 21197992
    [Abstract] [Full Text] [Related]

  • 18. 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]

  • 19. 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]

  • 20. 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]

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