Publicaciones en colaboración con investigadores/as de University of Manchester (9)

2019

  1. Nine questions on energy decomposition analysis

    Journal of Computational Chemistry, Vol. 40, Núm. 26, pp. 2248-2283

2018

  1. Revitalizing the concept of bond order through delocalization measures in real space

    Chemical Science, Vol. 9, Núm. 25, pp. 5517-5529

2016

  1. Extension of the interacting quantum atoms (IQA) approach to B3LYP level density functional theory (DFT)

    Physical Chemistry Chemical Physics, Vol. 18, Núm. 31, pp. 20986-21000

2015

  1. Six questions on topology in theoretical chemistry

    Computational and Theoretical Chemistry, Vol. 1053, pp. 2-16

2013

  1. Domain-averaged exchange-correlation energies as a physical underpinning for chemical graphs

    ChemPhysChem, Vol. 14, Núm. 6, pp. 1211-1218

2011

  1. Nature of chemical interactions from the profiles of electron delocalization indices

    Journal of Chemical Theory and Computation, Vol. 7, Núm. 6, pp. 1704-1711

2010

  1. Convergence of the multipole expansion for 1,2 Coulomb interactions: The modified multipole shifting algorithm

    Journal of Chemical Physics, Vol. 132, Núm. 19

2000

  1. Pyrone-like structures as novel oxygen-based organic superbases

    Angewandte Chemie - International Edition, Vol. 39, Núm. 7, pp. 1320-1323

1999

  1. Contribution of pyrone-type structures to carbon basicity: An ab initio study

    Langmuir, Vol. 15, Núm. 11, pp. 3897-3904