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2018

  1. 101- Density functional theory study on the demethylation reaction between methylamine, dimethylamine, trimethylamine, and tamoxifen catalyzed by a Fe(IV)-Oxo porphyrin complex.

    Alberro N, Torrent-Sucarrat M, Arrieta A, Rubiales G, and Cossio FP.

    Journal of Physical Chemistry A 122, 1658 (2018).

  2. 102- Electron-pair distribution in chemical bond formation.

    Rodriguez-Mayorga M, Via-Nadal M, Sola M, Ugalde JM, Lopez X, and Matito E.

    Journal of Physical Chemistry A 122, 1916 (2018).

  3. 103- A definition of the magnetic transition temperature using valence bond theory.

    Jornet-Somoza J, Deumal M, Borge J, and Robb MA.

    Journal of Physical Chemistry A 122, 2168 (2018).

  4. 104- Comparison of electron and ion emission from xenon cluster-induced ignition of helium nanodroplets.

    Kelbg M, Heidenreich A, Kazak L, Zabel M, Krebs B, Meiwes-Broer KH, and Tiggesbaumker J.

    Journal of Physical Chemistry A 122, 8107 (2018).

  5. 105- Oxidation of acid, base, and amide side-chain amino acid derivatives via hydroxyl radical.

    Uranga J, Mujika JI, Grande-Aztatzi R, and Matxain JM.

    Journal of Physical Chemistry B 122, 4956 (2018).

  6. 106- Density functional theory modeling of solid-state nuclear magnetic resonances for polycyclic aromatic hydrocarbons.

    Diez-Gomez V, Sobrados I, Sanz J, Carrera M, Guijarro A, Verges JA, and de Andres PL.

    Journal of Physical Chemistry C 122, 11008 (2018).

  7. 107- Multicenter bonding effects in oxygen vacancy in the bulk and on the surface of MgO.

    Popov IA, Jimenez-Izal E, Alexandrova AN, and Boldyrev AI.

    Journal of Physical Chemistry C 122, 11933 (2018).

  8. 108- Nonmetallic FeH6 under high pressure.

    Zhang ST, Lin JY, Wang YC, Yang GC, Bergara A, and Ma YM.

    Journal of Physical Chemistry C 122, 12022 (2018).

  9. 109- Electronic properties of substitutionally boron-doped graphene nanoribbons on a Au(111) surface.

    Carbonell-Sanroma E, Garcia-Lekue A, Corso M, Vasseur G, Brandimarte P, Lobo-Checa J, de Oteyza DG, Li JC, Kawai S, Saito S, Yamaguchi S, Ortega JE, Sanchez-Portal D, and Pascual JI.

    Journal of Physical Chemistry C 122, 16092 (2018).

  10. 110- Effect of structural fluctuations on elastic lifetimes of adsorbate states: isonicotinic acid on rutile(110).

    Muller M, Sanchez-Portal D, Lin H, Brivio GP, Selloni A, and Fratesi G.

    Journal of Physical Chemistry C 122, 7575 (2018).

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