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Home > Publications > Scientific Articles > 2018


  1. 41- Hydrogen bonds and other interactions as a response to protect doublet/octet electron structure.

    Grabowski SJ.

    Journal of Molecular Modeling 24, 38 (2018).

  2. 42- Revised theoretical model on enantiocontrol in phosphoric acid catalyzed H-transfer hydrogenation of quinoline.

    Pastor J, Rezabal E, Voituriez A, Betzer JF, Marinetti A, and Frison G.

    Journal of Organic Chemistry 83, 2779 (2018).

  3. 43- Synthesis of exo-imidazolidin-2-one dienes, their isomerization, and selectivity in Diels-Alder cycloadditions.

    Espinoza-Hicks C, Montoya P, Bautista R, Jimenez-Vazquez HA, Rodriguez-Valdez LM, Camacho-Davila AA, Cossio FP, Delgado F, and Tamariz J.

    Journal of Organic Chemistry 83, 5347 (2018).

  4. 44- 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).

  5. 45- 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).

  6. 46- 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).

  7. 47- 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).

  8. 48- 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).

  9. 49- Tracing polymerization in calcium silicate hydrates using Si isotopic fractionation.

    Dupuis R, Dolado JS, Surga J, and Ayuela A.

    Journal of Physical Chemistry C 122, 8356 (2018).

  10. 50- Unraveling the electronic structure of narrow atomically precise chiral graphene nanoribbons.

    Merino-Diez N, Li JC, Garcia-Lekue A, Vasseur PG, Vilas-Varela M, Carbonell-Sanroma E, Corso M,Ortega JE, Pena D, Pascual JI, de Oteyza DG.

    Journal of Physical Chemistry Letters 9, 25 (2018).

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