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Journal Abstract Search

355 related items for PubMed ID: 21090692

  • 1. Germylenes: structures, electron affinities, and singlet-triplet gaps of the conventional XGeCY(3) (X = H, F, Cl, Br, and I; Y = F and Cl) species and the unexpected cyclic XGeCY(3) (Y = Br and I) systems.
    Bundhun A, Abdallah HH, Ramasami P, Schaefer HF.
    J Phys Chem A; 2010 Dec 23; 114(50):13198-212. PubMed ID: 21090692
    [Abstract] [Full Text] [Related]

  • 2. Germylene energetics: electron affinities and singlet-triplet gaps of GeX(2) and GeXY species (X, Y = H, CH(3), SiH(3), GeH(3), F, Cl, Br, I).
    Bundhun A, Ramasami P, Schaefer HF.
    J Phys Chem A; 2009 Jul 16; 113(28):8080-90. PubMed ID: 19548644
    [Abstract] [Full Text] [Related]

  • 3. Stannylenes: structures, electron affinities, ionization energies, and singlet-triplet gaps of SnX2/SnXY and XSnR/SnR2/RSnR′ species (X; Y = H, F, Cl, Br, I, and R; R' = CH3, SiH3, GeH3, SnH3).
    Bundhun A, Ramasami P, Gaspar PP, Schaefer HF.
    Inorg Chem; 2012 Jan 16; 51(2):851-63. PubMed ID: 22216741
    [Abstract] [Full Text] [Related]

  • 4. 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 16; 23(16):1642-55. PubMed ID: 12395430
    [Abstract] [Full Text] [Related]

  • 5. Quantum mechanical modeling for the GeX(2)/GeHX + GeH(4) reactions (X = H, F, Cl, and Br).
    Bundhun A, Blowers P, Ramasami P, Schaefer HF.
    J Phys Chem A; 2010 Apr 01; 114(12):4210-23. PubMed ID: 20184333
    [Abstract] [Full Text] [Related]

  • 6. Electronic structures and electron detachment energies of halogen substituted acetate anions, XCH2COO- (X=F,Cl,Br).
    Yu W, Lin Z, Ding C.
    J Chem Phys; 2007 Mar 21; 126(11):114301. PubMed ID: 17381200
    [Abstract] [Full Text] [Related]

  • 7. Structures, electron affinities, and harmonic vibrational frequencies of C6H5X/C6H5X- (X = N, S, NH, PH, CH2, and SiH2).
    Xu W, Gao A.
    J Phys Chem A; 2006 Jan 26; 110(3):997-1004. PubMed ID: 16420000
    [Abstract] [Full Text] [Related]

  • 8. 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 26; 25(7):907-20. PubMed ID: 15027104
    [Abstract] [Full Text] [Related]

  • 9. 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
    [Abstract] [Full Text] [Related]

  • 10. Structures and electron affinities of the di-arsenic fluorides As2Fn/As2Fn- (n=1-8).
    Kasalová V, Schaefer HF.
    J Comput Chem; 2005 Apr 15; 26(5):411-35. PubMed ID: 15688438
    [Abstract] [Full Text] [Related]

  • 11. Silicon hydride clusters Si5Hn (n = 3-12) and their anions: structures, thermochemistry, and electron affinities.
    Li CP, Li XJ, Yang JC.
    J Phys Chem A; 2006 Nov 02; 110(43):12026-34. PubMed ID: 17064192
    [Abstract] [Full Text] [Related]

  • 12. Hypervalency avoided: simple substituted BrF3 and BrF5 molecules. Structures, thermochemistry, and electron affinities of the bromine hydrogen fluorides HBrF2 and HBrF4.
    Li Q, Gong L, Xie Y, Schaefer HF.
    J Am Chem Soc; 2004 Nov 17; 126(45):14950-9. PubMed ID: 15535723
    [Abstract] [Full Text] [Related]

  • 13. Silicon monohydride clusters Si(n)H (n = 4-10) and their anions: structures, thermochemistry, and electron affinities.
    Yang J, Bai X, Li C, Xu W.
    J Phys Chem A; 2005 Jun 30; 109(25):5717-23. PubMed ID: 16833904
    [Abstract] [Full Text] [Related]

  • 14. 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]

  • 15. Halogen-hydride interaction between Z-X (Z = CN, NC; X = F, Cl, Br) and H-Mg-Y (Y = H, F, Cl, Br, CH3).
    Mohajeri A, Alipour M, Mousaee M.
    J Phys Chem A; 2011 May 05; 115(17):4457-66. PubMed ID: 21456584
    [Abstract] [Full Text] [Related]

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

  • 17. The peculiar trend of cyclic perfluoroalkane electron affinities with increasing ring size.
    Paul A, Wannere CS, Kasalova V, Schleyer Pv, Schaefer HF.
    J Am Chem Soc; 2005 Nov 09; 127(44):15457-69. PubMed ID: 16262410
    [Abstract] [Full Text] [Related]

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  • 19. Molecules for materials: structures, thermochemistry, and electron affinities of the digermanium fluorides Ge2Fn/Ge2Fn- (n = 1-6): a wealth of unusual structures.
    Li Q, Li G, Xu W, Xie Y, Schaefer HF.
    Chemphyschem; 2002 Feb 15; 3(2):179-94. PubMed ID: 12503125
    [Abstract] [Full Text] [Related]

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

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