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263 related items for PubMed ID: 15268370

  • 1. Ab initio study including spin-orbit effects on the B-X transition of AgI.
    Ramirez-Solis A.
    J Chem Phys; 2004 Feb 01; 120(5):2319-24. PubMed ID: 15268370
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  • 2. Ab initio study of the spectroscopy of AgBr: a CASSCF + Averaged Coupled Pair Functional approach to the lowest excited states including spin-orbit couplings.
    Amaro-Estrada JI, Ramírez-Solís A.
    J Chem Phys; 2009 Sep 28; 131(12):124308. PubMed ID: 19791882
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  • 3. The electronic spectrum of AgCl2: ab initio benchmark versus density-functional theory calculations on the lowest ligand-field states including spin-orbit effects.
    Ramírez-Solís A, Poteau R, Daudey JP.
    J Chem Phys; 2006 Jan 21; 124(3):034307. PubMed ID: 16438583
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  • 4. Ab initio study on the ground and low-lying excited states of cesium iodide (CsI).
    Kurosaki Y, Matsuoka L, Yokoyama K, Yokoyama A.
    J Chem Phys; 2008 Jan 14; 128(2):024301. PubMed ID: 18205444
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  • 5. Ab initio study on the spectroscopy of CuCl2. II. Benchmark calculations on the X2Pi g-C2Deltag and X2Pi g-D2Deltag transitions.
    Ramírez-Solís A, Daudey JP.
    J Chem Phys; 2005 Jan 01; 122(1):14315. PubMed ID: 15638667
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  • 6. Spin-orbit coupling in O2(upsilon)+O2 collisions: I. Electronic structure calculations on dimer states involving the X 3Sigmag-, a 1Deltag, and b 1Sigmag+ states of O2.
    Dayou F, Hernández MI, Campos-Martínez J, Hernández-Lamoneda R.
    J Chem Phys; 2005 Aug 15; 123(7):074311. PubMed ID: 16229574
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  • 9. An ab initio study on the ground and low-lying doublet electronic states of SbO2.
    Lee EP, Dyke JM, Chau FT, Chow WK, Mok DK.
    J Chem Phys; 2006 Aug 14; 125(6):64307. PubMed ID: 16942286
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  • 10. 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
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  • 16. On the R-dependence of the spin-orbit coupling constant: Potential energy functions of Xe(2) (+) by high-resolution photoelectron spectroscopy and ab initio quantum chemistry.
    Zehnder O, Mastalerz R, Reiher M, Merkt F, Dressler RA.
    J Chem Phys; 2008 Jun 21; 128(23):234306. PubMed ID: 18570498
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  • 17. Sign reversal of the spin-orbit constant for the C 3Pi(u) state of N2.
    Ndome H, Hochlaf M, Lewis BR, Heays AN, Gibson ST, Lefebvre-Brion H.
    J Chem Phys; 2008 Oct 28; 129(16):164307. PubMed ID: 19045266
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  • 18. Ab initio calculations on SnCl2 and Franck-Condon factor simulations of its ã-X and B-X absorption and single-vibronic-level emission spectra.
    Lee EP, Dyke JM, Mok DK, Chow WK, Chau FT.
    J Chem Phys; 2007 Jul 14; 127(2):024308. PubMed ID: 17640129
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  • 19. Comparative studies of the spectroscopy of CuCl2: DFT versus standard ab initio approaches.
    Ramírez-Solís A, Poteau R, Vela A, Daudey JP.
    J Chem Phys; 2005 Apr 22; 122(16):164306. PubMed ID: 15945683
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