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2018

  1. 81- Hydrogen bonds and other interactions as a response to protect doublet/octet electron structure.

    Grabowski SJ.

    Journal of Molecular Modeling 24, 38 (2018).

  2. 82- 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. 83- 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. 84- 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. 85- 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. 86- 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. 87- 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. 88- 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).

  9. 89- 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).

  10. 90- 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).

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