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Journal Abstract Search

1025 related items for PubMed ID: 15945731

  • 21. A theoretical and computational study of the anion, neutral, and cation Cu(H(2)O) complexes.
    Taylor MS, Muntean F, Lineberger WC, McCoy AB.
    J Chem Phys; 2004 Sep 22; 121(12):5688-99. PubMed ID: 15366992
    [Abstract] [Full Text] [Related]

  • 22. A systematic multireference perturbation-theory study of the low-lying states of SiC3.
    Rintelman JM, Gordon MS, Fletcher GD, Ivanic J.
    J Chem Phys; 2006 Jan 21; 124(3):034303. PubMed ID: 16438579
    [Abstract] [Full Text] [Related]

  • 23. Intermolecular potentials of the silane dimer calculated with Hartree-Fock theory, Møller-Plesset perturbation theory, and density functional theory.
    Pai CC, Li AH, Chao SD.
    J Phys Chem A; 2007 Nov 22; 111(46):11922-9. PubMed ID: 17963367
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  • 24. Structures and heats of formation of the neutral and ionic PNO, NOP, and NPO systems from electronic structure calculations.
    Grant DJ, Dixon DA, Kemeny AE, Francisco JS.
    J Chem Phys; 2008 Apr 28; 128(16):164305. PubMed ID: 18447437
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  • 25. Coupled-cluster calculations of C(2)H(2)Si and CNHSi structural isomers.
    Thorwirth S, Harding ME.
    J Chem Phys; 2009 Jun 07; 130(21):214303. PubMed ID: 19508065
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  • 26. Theoretical analysis of gas-phase front-side attack identity S(N)2(C) and S(N)2(Si) reactions with retention of configuration.
    Yang ZZ, Ding YL, Zhao DX.
    J Phys Chem A; 2009 May 07; 113(18):5432-45. PubMed ID: 19354223
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  • 28. 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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  • 31. 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
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  • 33. Coupled-cluster studies of the electronic excitation spectra of silanes.
    Lehtonen O, Sundholm D.
    J Chem Phys; 2006 Oct 14; 125(14):144314. PubMed ID: 17042597
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  • 35. 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 14; 23(16):1642-55. PubMed ID: 12395430
    [Abstract] [Full Text] [Related]

  • 36. Density functional theory and multireference configuration interaction studies on low-lying excited states of TiO2.
    Grein F.
    J Chem Phys; 2007 Jan 21; 126(3):034313. PubMed ID: 17249877
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  • 37. Full-dimensional ab initio potential energy surface and vibrational configuration interaction calculations for vinyl.
    Sharma AR, Braams BJ, Carter S, Shepler BC, Bowman JM.
    J Chem Phys; 2009 May 07; 130(17):174301. PubMed ID: 19425770
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  • 38. Accurate ab initio structure, dissociation energy, and vibrational spectroscopy of the F(-)-CH4 anion complex.
    Czakó G, Braams BJ, Bowman JM.
    J Phys Chem A; 2008 Aug 14; 112(32):7466-72. PubMed ID: 18651724
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  • 39. Ge3H(n)- anions (n = 0-5) and their neutral analogues: a theoretical investigation on the structure, stability, and thermochemistry.
    Antoniotti P, Borocci S, Grandinetti F.
    J Phys Chem A; 2006 Aug 03; 110(30):9429-37. PubMed ID: 16869693
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  • 40. Unusual isomers of disilacyclopropenylidene (Si2CH2).
    Wu Q, Hao Q, Yamaguchi Y, Li Q, Fang DC, Schaefer HF.
    J Phys Chem A; 2010 Jul 08; 114(26):7102-9. PubMed ID: 20540500
    [Abstract] [Full Text] [Related]

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