Publications by the researcher in collaboration with Miguel Ángel Fernández González (7)

2021

  1. The concept of substituent-induced force in the rationale of substituent effect

    Journal of Chemical Physics, Vol. 154, Núm. 22

2018

  1. C-H Functionalization of BN-Aromatics Promoted by Addition of Organolithium Compounds to the Boron Atom

    Organic Letters, Vol. 20, Núm. 16, pp. 4902-4906

  2. Ligand-Directed Reactivity in Dioxygen and Water Binding to cis-[Pd(NHC)2(η2-O2)]

    Journal of the American Chemical Society, Vol. 140, Núm. 1, pp. 264-276

2014

  1. Toward an optomechanical control of photoswitches by tuning their spectroscopical properties: Structural and dynamical insights into Azobenzene

    Journal of Chemical Theory and Computation, Vol. 10, Núm. 1, pp. 312-323

  2. Tuning molecular excitation energy with external forces

    Computational and Theoretical Chemistry, Vol. 1040-1041, pp. 106-111

2012

  1. Modulating nitric oxide release by S-nitrosothiol photocleavage: Mechanism and substituent effects

    Journal of Physical Chemistry A, Vol. 116, Núm. 26, pp. 7039-7049

  2. Structural substituent effect in the excitation energy of a chromophore: Quantitative determination and application to S-nitrosothiols

    Journal of Chemical Theory and Computation, Vol. 8, Núm. 9, pp. 3293-3302