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Journal Abstract Search

161 related items for PubMed ID: 23134561

  • 1. Dicyanogermylenes: a tale of isomers and interconversions.
    Bundhun A, Abdallah HH, Ramasami P, Gaspar PP, Schaefer HF.
    Inorg Chem; 2012 Nov 19; 51(22):12152-64. PubMed ID: 23134561
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  • 5. Pi and sigma-phenylethynyl radicals and their isomers o-, m-, and p-ethynylphenyl: structures, energetics, and electron affinities.
    Sreeruttun RK, Ramasami P, Wannere CS, Simmonett AC, Schaefer HF.
    J Phys Chem A; 2008 Apr 03; 112(13):2838-45. PubMed ID: 18335906
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  • 6. Molecules for materials: germanium hydride neutrals and anions. Molecular structures, electron affinities, and thermochemistry of GeHn/GeHn- (n = 0-4) and Ge2Hn/Ge2Hn(-) (n = 0-6).
    Li QS, Lü RH, Xie Y, Schaefer HF.
    J Comput Chem; 2002 Dec 03; 23(16):1642-55. PubMed ID: 12395430
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  • 7. The lowest-lying electronic singlet and triplet potential energy surfaces for the HNO-NOH system: energetics, unimolecular rate constants, tunneling and kinetic isotope effects for the isomerization and dissociation reactions.
    Bozkaya U, Turney JM, Yamaguchi Y, Schaefer HF.
    J Chem Phys; 2012 Apr 28; 136(16):164303. PubMed ID: 22559478
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  • 9. A benchmark theoretical study of the electronic ground state and of the singlet-triplet split of benzene and linear acenes.
    Hajgató B, Szieberth D, Geerlings P, De Proft F, Deleuze MS.
    J Chem Phys; 2009 Dec 14; 131(22):224321. PubMed ID: 20001050
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  • 15. Accurate prediction for electron affinities of the radicals derived from the halide benzene.
    Xu W, Gao A.
    J Chem Phys; 2005 Aug 22; 123(8):084320. PubMed ID: 16164304
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  • 16. Perfluoroadamantane and its negative ion.
    Li QS, Feng XJ, Xie Y, Schaefer HF.
    J Phys Chem A; 2005 Feb 24; 109(7):1454-7. PubMed ID: 16833464
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  • 18. Density functional theory calculations of the lowest energy quintet and triplet states of model hemes: role of functional, basis set, and zero-point energy corrections.
    Khvostichenko D, Choi A, Boulatov R.
    J Phys Chem A; 2008 Apr 24; 112(16):3700-11. PubMed ID: 18348545
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  • 19. The arsenic clusters Asn (n = 1-5) and their anions: structures, thermochemistry, and electron affinities.
    Zhao Y, Xu W, Li Q, Xie Y, Schaefer HF.
    J Comput Chem; 2004 May 24; 25(7):907-20. PubMed ID: 15027104
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