Publicaciones en colaboración con investigadores/as de University of Rostock (6)

2023

  1. The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry

    Journal of Chemical Theory and Computation, Vol. 19, Núm. 20, pp. 6933-6991

2019

  1. OpenMolcas: From Source Code to Insight

    Journal of Chemical Theory and Computation, Vol. 15, Núm. 11, pp. 5925-5964

2017

  1. Cobalt-catalysed reductive C-H alkylation of indoles using carboxylic acids and molecular hydrogen

    Chemical Science, Vol. 8, Núm. 9, pp. 6439-6450

  2. Unprecedented selective homogeneous cobalt-catalysed reductive alkoxylation of cyclic imides under mild conditions

    Chemical Science, Vol. 8, Núm. 8, pp. 5536-5546

2015

  1. Efficient Rh-catalyzed C-H borylation of arene derivatives under photochemical conditions

    Organic and Biomolecular Chemistry, Vol. 13, Núm. 41, pp. 10336-10340

2008

  1. Bond-based linear indices in QSAR: Computational discovery of novel anti-trichomonal compounds

    Journal of Computer-Aided Molecular Design, Vol. 22, Núm. 8, pp. 523-540