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Journal Abstract Search

221 related items for PubMed ID: 15267656

  • 1. Potential energy surfaces for HenNe+ ions: ab initio and diatomics-in-molecule results.
    Seong J, Rohrbacher A, Li ZR, Janda KC, Tao FM, Spiegelman F, Halberstadt N.
    J Chem Phys; 2004 Apr 22; 120(16):7456-63. PubMed ID: 15267656
    [Abstract] [Full Text] [Related]

  • 2. Structure and stability of Ne+He(n): experiment and diffusion quantum Monte Carlo theory with "on the fly" electronic structure.
    Brindle CA, Prado MR, Janda KC, Halberstadt N, Lewerenz M.
    J Chem Phys; 2005 Aug 08; 123(6):64312. PubMed ID: 16122313
    [Abstract] [Full Text] [Related]

  • 3. Ab initio study of the reactions of Ga(2P, 2S, and 2P) with methane.
    Pacheco-Sanchez JH, Luna-Garcia H, Castillo S.
    J Chem Phys; 2004 Mar 01; 120(9):4240-6. PubMed ID: 15268591
    [Abstract] [Full Text] [Related]

  • 4. Ab initio calculations for the Zn 2s and 2p core level binding energies in Zn oxo compounds and ZnO.
    Rössler N, Kotsis K, Staemmler V.
    Phys Chem Chem Phys; 2006 Feb 14; 8(6):697-706. PubMed ID: 16482309
    [Abstract] [Full Text] [Related]

  • 5. Ab initio spin-orbit configuration interaction calculations for high-lying states of the HeNe quasimolecule.
    Buenker RJ, Liebermann HP, Devdariani AZ.
    J Phys Chem A; 2007 Feb 22; 111(7):1307-18. PubMed ID: 17266285
    [Abstract] [Full Text] [Related]

  • 6. Ab initio ground and excited state potential energy surfaces for NO-Kr complex and dynamics of Kr solids with NO impurity.
    Castro-Palacios JC, Rubayo-Soneira J, Ishii K, Yamashita K.
    J Chem Phys; 2007 Apr 07; 126(13):134315. PubMed ID: 17430040
    [Abstract] [Full Text] [Related]

  • 7. Intermolecular potential energy surface and spectra of He-HCl with generalization to other rare gas-hydrogen halide complexes.
    Murdachaew G, Szalewicz K, Jiang H, Bacić Z.
    J Chem Phys; 2004 Dec 15; 121(23):11839-55. PubMed ID: 15634146
    [Abstract] [Full Text] [Related]

  • 8. A theoretical study of He2ICl van der Waals cluster.
    Valdés A, Prosmiti R, Villarreal P, Delgado-Barrio G.
    J Chem Phys; 2006 Jul 07; 125(1):014313. PubMed ID: 16863304
    [Abstract] [Full Text] [Related]

  • 9. Vibrational shifts of OCS in mixed clusters of parahydrogen and helium.
    Paesani F, Whaley KB.
    J Chem Phys; 2006 Jun 21; 124(23):234310. PubMed ID: 16821921
    [Abstract] [Full Text] [Related]

  • 10. Ab initio treatment of the chemical reaction precursor complex Br(2P)-HCN. 1. Adiabatic and diabatic potential surfaces.
    Fishchuk AV, Merritt JM, van der Avoird A.
    J Phys Chem A; 2007 Aug 09; 111(31):7262-9. PubMed ID: 17567108
    [Abstract] [Full Text] [Related]

  • 11. Correlated ab initio study of the ground electronic state of the O2-HF complex.
    Fawzy WM.
    J Chem Phys; 2006 Apr 28; 124(16):164303. PubMed ID: 16674131
    [Abstract] [Full Text] [Related]

  • 12. The H(2)O(++) Ground State Potential Energy Surface.
    Bunker PR, Bludsky O, Jensen P, Wesolowski SS, Van Huis TJ, Yamaguchi Y, Schaefer HF.
    J Mol Spectrosc; 1999 Dec 28; 198(2):371-375. PubMed ID: 10547318
    [Abstract] [Full Text] [Related]

  • 13. Study of the C(3P) + OH(X2Pi) --> CO(X1Sigma(g)+) + H(2S) reaction: a fully global ab initio potential energy surface of the X2A' state.
    Zanchet A, Bussery-Honvault B, Honvault P.
    J Phys Chem A; 2006 Nov 02; 110(43):12017-25. PubMed ID: 17064191
    [Abstract] [Full Text] [Related]

  • 14. Ground and excited state dissociation dynamics of ionized 1,1-difluoroethene.
    Gridelet E, Dehareng D, Locht R, Lorquet AJ, Lorquet JC, Leyh B.
    J Phys Chem A; 2005 Sep 22; 109(37):8225-35. PubMed ID: 16834209
    [Abstract] [Full Text] [Related]

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  • 16. Ab initio calculation of the NH(3sigma-)-NH(3sigma-) interaction potentials in the quintet, triplet, and singlet states.
    Dhont GS, van Lenthe JH, Groenenboom GC, van der Avoird A.
    J Chem Phys; 2005 Nov 08; 123(18):184302. PubMed ID: 16292903
    [Abstract] [Full Text] [Related]

  • 17. Interactions in open-shell clusters: ab initio study of pre-reactive complex O(3P) + HCl.
    Rode JE, Klos J, Rajchel L, Szczesniak MM, Chalasinski G, Buchachenko AA.
    J Phys Chem A; 2005 Dec 22; 109(50):11484-94. PubMed ID: 16354039
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  • 20. Ab initio intermolecular potential energy surfaces of the water-rare gas atom complexes.
    Makarewicz J.
    J Chem Phys; 2008 Nov 14; 129(18):184310. PubMed ID: 19045406
    [Abstract] [Full Text] [Related]

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