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2017

  1. 71- Analytic gradients for natural orbital functional theory.

    Mitxelena I, and Piris M.

    Journal of Chemical Physics 146, 014102 (2017).

  2. 72- From tunneling to contact in a magnetic atom: The non-equilibrium Kondo effect.

    Choi DJ, Abufager P, Limot L, and Lorente N.

    Journal of Chemical Physics 146, 092309 (2017).

  3. 73- A tunable electronic beam splitter realized with crossed graphene nanoribbons.

    Brandimarte P, Engelund M, Papior N, Garcia-Lekue A, Frederiksen T, and Sanchez-Portal D.

    Journal of Chemical Physics 146, 092318 (2017).

  4. 74- On the non-exponentiality of the dielectric Debye-like relaxation of monoalcohols.

    Arrese-Igor S, Alegria A , and Colmenero J.

    Journal of Chemical Physics 146, 114502 (2017).

  5. 75- Core-hole-induced dynamical effects in the x-ray emission spectrum of liquid methanol.

    Ljungberg MP, Zhovtobriukh I, Takahashi O, and Pettersson LGM.

    Journal of Chemical Physics 146, 134506 (2017).

  6. 76- Complex nonequilibrium dynamics of stacked polystyrene films deep in the glassy state.

    Boucher VM, Cangialosi D, Alegria A, and Colmenero J.

    Journal of Chemical Physics 146, 203312 (2017).

  7. 77- Communication: Hot-atom abstraction dynamics of hydrogenfrom tungsten surfaces: the role of surface structure.

    Galparsoro O, Busnengo HF, Juaristi JI, Crespos C, Alducin M, and Larregaray P.

    Journal of Chemical Physics 147, 121103 (2017).

  8. 78- On the tautomerisation of porphycene on copper (111): Finding the subtle balance between van der Waals interactions and hybridisation (vol 145, 244701, 2016).

    Novko D, Tremblay JC, and Blanco-Rey.

    Journal of Chemical Physics 147, 169901 (2017).

  9. 79- Local descriptors of dynamic and nondynamic correlation.

    Ramos-Cordoba E, and Matito E.

    Journal of Chemical Tehory and Computation 13, 2705 (2017).

  10. 80- Two faces of triel bonds in boron trihalide complexes.

    Grabowski SJ.

    Journal of Computational Chemistry 1 (2017).

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