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404. L. Zhao, M. Hermann, C. Jones, G. Frenking, “Reaction Mechanism of the Hydrogermylation/Hydrostannylation of Unactivated Alkenes with Two-Coordinate E(II) Hydrides (E = Ge, Sn). A Theoretical Study”, Chem. Eur. J., vol. 22, pp. 11728 (2016), DOI: 10.1002/chem.201600666

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401. L. A. Montero-Cabrera, Y. Pérez-Badell, M. Piris, A. L. Montero-Alejo, J. M. García de la Vega, A. J. C. Varandas, “Similarity measures between excited singlet and triplet electron densities in linear acenes. An application to singlet fission”, J. Mol. Phys., vol. 114, pp. 3650-3657 (2016), DOI: 10.1080/00268976.2016.1255799

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399. I. A. Popov, F. X. Pan, X. R. You, L. J. Li, E. Matito, Z. M. Sun, C. Liu, H. J. Zhai, A. I. Boldyrev, “Peculiar All-Metal σ-Aromaticity of [Au2Sb16]4− Anion in Solid State“, Angew. Chem. Int. Ed., vol. 55, pp 15344 (2016), DOI: 10.1002/anie.201609497

398. J. Uranga, O. Lakuntza, E. Ramos Cordoba, J. M. Matxain, Jon I. Mujika, “Computational Study of Radical Initiated Protein Backbone Homolytic Dissociation on All Natural Amino Acids“, Phys. Chem. Chem. Phys., vol. 18, pp 30972 – 30981 (2016), DOI: 10.1039/C6CP06529E.

397. A. C. Aragonès, E. Medina, M. Ferrer-Huerta, N. Gimeno, M. Teixidó, J. Palma, N. Tao, J. M. Ugalde, E. Giralt, I. Díez-Pérez, V. Mujica, “Measuring the Spin-Polarization Power of a Single Chiral Molecule”, Small, vol. 13, pp. 1602519 (2016), DOI: 10.1002/smll.201602519.

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395. A. Heidenreich, B. Grüner, M. Rometsch, S. R. Krishnan, F. Stienkemeier, M. Mudrich, “Efficiency of dopant-induced ignition of helium nanoplasmas“, New J. Phys., vol. 18, pp. 073046 (2016), DOI: 10.1088/1367-2630/18/7/073046.

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392. I. León, F. Ruipérez, J. M. Ugalde, L. S. Wang, “Probing the electronic structure and Au-C chemical bonding in AuCn- and AuCnH- (n = 2, 4, 6) using high-resolution photoelectron spectroscopy“, J. Chem. Phys. vol. 145, pp. 064304 (2016), DOI: 10.1063/1.4960440

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390. X. Feng, D. Casanova, A. I. Krylov, “Intra- and Inter-Molecular Singlet Fission in Covalently Linked Dimers“, J. Phys. Chem. C, vol. 120, pp 19070–19077 (2016), DOI: 10.1021/acs.jpcc.6b07666

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387. J. M. Mercero, M. Rodriguez-Mayorga, E. Matito, X. Lopez, J. M. Ugalde,The Electron-pair Density Distribution of the $^{1,3}\Pi_{\rm u}$ Excited States of H$_{2}$“, Can. J. Chem., vol. 94, pp 998-1001 (2016), DOI: 10.1139/cjc-2016-0203

386. J. Beardmore, X. Lopez, J. I. Mujika, C. Exley, “What is the mechanism of formation of hydroxyaluminosilicates?“, Sci. Rep., vol. 6, pp. 30913 (2016), DOI: 10.1038/srep30913

385. R. Huang, H. Phan, T. S. Herng, P. Hu, W. Zeng, S. Q. Dong, S. Das, Y. Shen, J. Ding, D. Casanova, J. Wu, “Higher order pi-conjugated polycyclic hydrocarbons with open-shell singlet ground state: nonazethrene versus nonacene“, J. Am. Chem. Soc., vol. 138, pp 10323–10330 (2016), DOI:10.1021/jacs.6b06188

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383. J. Cepeda, E. San Sebastian, D. Padro, A. Rodríguez-Diéguez, J. A. García, J. M. Ugalde, J. M. Seco, “A Zn based coordination polymer exhibiting long-lasting phosphorescence“, Chem. Commun., vol. 52, pp. 8671-8674 (2016), DOI: 10.1039/C6CC03242G

382. A. Ruiz de Luzuriaga, J. M. Matxain, F. Ruipérez, R. Martin, J. M. Asua, G. Cabanero, I. Odriozola, “Transient mechanochromism in epoxy vitrimer composites containing aromatic disulfide crosslinks“, J. Mater. Chem. C, vol. 4, pp. 6220-6223(2016),  DOI: 10.1039/C6TC02383E

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375. S. J. Grabowski, F. Ruipérez “Dihydrogen bond interactions as a results of H2 cleavage at Cu, Ag and Au centres”, Phys. Chem. Chem. Phys., vol. 18, pp. 12810-12818 (2016) DOI: 10.1039/c6cp00046k

374. A. Prlj, M. E. Sandoval-Salinas, D. Casanova, D. Jacquemin, C. Corminboeuf, “Low Lying ππ* State of Heteroaromatic Molecules: A Challenge for Excited State Methods“, J. Chem. Theory Comput., vol. 12, pp 2652–2660 (2016), DOI: 10.1021/acs.jctc.6b00245

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370. R. Grande-Aztatzi, E. Formoso, J. M. Mercero, J. M. Matxain, S. J. Grabowski, J. M. Ugalde, “Structural and optical properties of the naked and passivated AlAu bimetallic nanoclusters” J. Chem. Phys., vol. 144, pp 114302 (2016) DOI: 10.1063/1.4943129

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