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Journal Abstract Search

166 related items for PubMed ID: 16268692

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  • 4. Ab initio multireference configuration-interaction study of hydrogen molecule activation by Cs-promoted Pt clusters.
    Benitez JI, Castillo S, Poulain E, Bertin V.
    J Chem Phys; 2006 Jan 14; 124(2):024703. PubMed ID: 16422622
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  • 5. Transition probabilities for the Au ((2)S, (2)D, and (2)P) with SiH(4) reaction.
    Pacheco-Sánchez JH, Luna-García HM, García-Cruz LM, Novaro O.
    J Chem Phys; 2010 Jan 28; 132(4):044301. PubMed ID: 20113027
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  • 7. Ab initio configuration-interaction study of the ground and low-lying electronic states of NiI.
    Yang CL, Gao F, Zhang XY, Han KL.
    J Chem Phys; 2005 Nov 22; 123(20):204308. PubMed ID: 16351257
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  • 8. 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 study of a Bi3+ impurity in Cs2NaYCl6 and Y2O3: comparison of perturbative and variational electron correlation methods.
    Réal F, Vallet V, Flament JP, Schamps J.
    J Chem Phys; 2006 Nov 07; 125(17):174709. PubMed ID: 17100463
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  • 11. 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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  • 12. Multireference configuration interaction calculations for the F(2P)+HCl-->HF+Cl(2P) reaction: a correlation scaled ground state (1 2A') potential energy surface.
    Deskevich MP, Hayes MY, Takahashi K, Skodje RT, Nesbitt DJ.
    J Chem Phys; 2006 Jun 14; 124(22):224303. PubMed ID: 16784270
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  • 13. A theoretical approach to the photochemical activation of matrix isolated aluminum atoms and their reaction with methane.
    Pacheco-Blas MA, Novaro OA, Pacheco-Sánchez JH.
    J Chem Phys; 2010 Nov 07; 133(17):174307. PubMed ID: 21054032
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  • 17. The barrier height of the F+H2 reaction revisited: coupled-cluster and multireference configuration-interaction benchmark calculations.
    Werner HJ, Kállay M, Gauss J.
    J Chem Phys; 2008 Jan 21; 128(3):034305. PubMed ID: 18205496
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  • 18. An ab initio study of the low-lying electronic states of S3.
    Peterson KA, Lyons JR, Francisco JS.
    J Chem Phys; 2006 Aug 28; 125(8):084314. PubMed ID: 16965019
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  • 20. Ab initio calculations on low-lying electronic states of SbO2- and Franck-Condon simulation of its photodetachment spectrum.
    Lee EP, Dyke JM, Mok DK, Chau FT, Chow WK.
    J Chem Phys; 2007 Sep 07; 127(9):094306. PubMed ID: 17824738
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