LCMD - Laboratory of Computational Molecular Design
13:57Heterotetracenes: Flexible Synthesis and in Silico Assessment of the Hole Transport Properties, in Chemistry A European Journal, 2017.
21:27Photochemistry of 1- and 2-Naphthols and their Water Clusters: The Role of 1ππ*(La) Mediated Hydrogen Transfer to Carbon Atoms, in Chemistry A European Journal, 2017.
21:03Synthesis and Characterisation of Semiaromatic Polyamides Comprising Benzofurobenzofuran Repeating Units, in Polymer Chemistry, vol. advance article, 2017.
20:56Found in translation: Quantum chemical tools for grasping non-covalent interactions, in Journal of Chemical Physics (Perspective Article), vol. 146, num. 12, p. 120901, 2017.
11:37Nickel pincer model of the active site of lactate racemase involves ligand participation in hydride transfer, in Proceedings of the National Academy of Sciences, vol. 114, p. 1242–1245, 2017.
14:30Photoproduction of Hydrogen by Decamethylruthenocene Combined with Electrochemical Recycling, in Angewandte Chemie International Edition, vol. 56, num. 9, p. 2324–2327, 2017.
16:08Enhancing the power conversion efficiency of dye-sensitized solar cells via molecular plasmon-like excitations, in Chemical Communications- Royal Society of Chemistry, vol. 53, p. 2423-2426, 2017.
10:34Charge Transport in Organic Nanofibrils: Lessons from Modelling, in Journal of Material Chemistry C, vol. 5, p. 350-361, 2017.
15:50Implications of Charge Penetration for the Heteroatom-Containing Organic Semiconductors, in Journal of Physical Chemistry Letters, vol. 7, num. 24, p. 5198–5204, 2016.
11:05Neutral Aminyl Radicals Derived from Azoimidazolium Dyes, in Journal of the American Chemical Society, vol. 138, num. 46, p. 15126-15129, 2016.