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341 related items for PubMed ID: 16965006

  • 1. Photodissociation dynamics of the NO dimer. I. Theoretical overview of the ultraviolet singlet excited states.
    Levchenko SV, Reisler H, Krylov AI, Gessner O, Stolow A, Shi H, East AL.
    J Chem Phys; 2006 Aug 28; 125(8):084301. PubMed ID: 16965006
    [Abstract] [Full Text] [Related]

  • 2. An extended multireference study of the electronic states of para-benzyne.
    Wang EB, Parish CA, Lischka H.
    J Chem Phys; 2008 Jul 28; 129(4):044306. PubMed ID: 18681645
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  • 4. Multiconfigurational self-consistent field and multireference internally contracted configuration interaction studies on the excited states of weakly bonded NO2 dimer (N2O4).
    Li Y.
    J Chem Phys; 2007 Nov 28; 127(20):204502. PubMed ID: 18052437
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  • 5. Femtochemistry of Norrish type-I reactions: III. Highly excited ketones--theoretical.
    Diau EW, Kötting C, Sølling TI, Zewail AH.
    Chemphyschem; 2002 Jan 18; 3(1):57-78. PubMed ID: 12465477
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  • 8. Ab initio study of the VUV-induced multistate photodynamics of formaldehyde.
    Gómez-Carrasco S, Müller T, Köppel H.
    J Phys Chem A; 2010 Nov 04; 114(43):11436-49. PubMed ID: 20931949
    [Abstract] [Full Text] [Related]

  • 9. Theoretical investigation of anthracene-9,10-endoperoxide vertical singlet and triplet excitation spectra.
    Corral I, González L.
    J Comput Chem; 2008 Sep 04; 29(12):1982-91. PubMed ID: 18366030
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  • 10. Insights into the ultraviolet spectrum of liquid water from model calculations.
    Cabral do Couto P, Chipman DM.
    J Chem Phys; 2010 Jun 28; 132(24):244307. PubMed ID: 20590193
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  • 11. Importance of polarization in quantum mechanics/molecular mechanics descriptions of electronic excited states: NaI(H2O)n photodissociation dynamics as a case study.
    Koch DM, Peslherbe GH.
    J Phys Chem B; 2008 Jan 17; 112(2):636-49. PubMed ID: 18183959
    [Abstract] [Full Text] [Related]

  • 12. A coupled cluster study of the electronic spectroscopy and photochemistry of Cr(CO)6.
    Villaume S, Strich A, Daniel C, Perera SA, Bartlett RJ.
    Phys Chem Chem Phys; 2007 Dec 14; 9(46):6115-22. PubMed ID: 18167586
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  • 13. Revisiting Mulliken's concepts about Rydberg states and Rydberg-valence interactions from large-scale Ab initio calculations on the acetylene molecule.
    Laruelle F, Boyé-Péronne S, Gauyacq D, Liévin J.
    J Phys Chem A; 2009 Nov 26; 113(47):13210-20. PubMed ID: 19639976
    [Abstract] [Full Text] [Related]

  • 14. Dissociation of ground and nsigma* states of CF3Cl using multireference configuration interaction with singles and doubles and with multireference average quadratic coupled cluster extensivity corrections.
    Lucena JR, Ventura E, do Monte SA, Araújo RC, Ramos MN, Fausto R.
    J Chem Phys; 2007 Oct 28; 127(16):164320. PubMed ID: 17979351
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  • 15. Theoretical study of photodissociation dynamics on the lowest-lying Rydberg state of ketene.
    Liu Y, Yu JK, Huang XR, Sun CC.
    J Chem Phys; 2006 Jul 28; 125(4):44311. PubMed ID: 16942146
    [Abstract] [Full Text] [Related]

  • 16. CASSCF and multireference CI with singles and doubles study of low-lying valence and Rydberg states of 2H-tetrazole.
    de Souza MA, Ventura E, Araújo RC, Ramos MN, do Monte SA.
    J Comput Chem; 2009 May 28; 30(7):1075-81. PubMed ID: 18942735
    [Abstract] [Full Text] [Related]

  • 17. Production of singlet oxygen atoms by photodissociation of oxywater.
    Franz J, Francisco JS, Peyerimhoff SD.
    J Chem Phys; 2009 Feb 28; 130(8):084304. PubMed ID: 19256608
    [Abstract] [Full Text] [Related]

  • 18. Rydberg or valence? The long-standing question in the UV absorption spectrum of 1,1'-bicyclohexylidene.
    Pérez-Hernández G, González L, Serrano-Andrés L.
    Chemphyschem; 2008 Dec 01; 9(17):2544-9. PubMed ID: 19012311
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  • 19. Block correlated coupled cluster method with a complete-active-space self-consistent-field reference function: the implementation for low-lying excited states.
    Fang T, Shen J, Li S.
    J Chem Phys; 2008 Dec 21; 129(23):234106. PubMed ID: 19102525
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  • 20. Electronic states of the benzene dimer: a simple case of complexity.
    Diri K, Krylov AI.
    J Phys Chem A; 2012 Jan 12; 116(1):653-62. PubMed ID: 22103406
    [Abstract] [Full Text] [Related]

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