Publications en collaboration avec des chercheurs de Universidad Autónoma de Madrid (10)

2022

  1. DAMQT 3: Advanced suite for the analysis of molecular density and related properties in large systems

    Computer Physics Communications, Vol. 279

2017

  1. Topology of molecular electron density and electrostatic potential with DAMQT

    Computer Physics Communications, Vol. 214, pp. 207-215

2016

  1. Anaerobic degradation of alcohol ethoxylates and polyethylene glycols in marine sediments

    Science of the Total Environment, Vol. 544, pp. 118-124

2015

  1. DAMQT 2.0: A new version of the DAMQT package for the analysis of electron density in molecules

    Computer Physics Communications, Vol. 192, pp. 289-294

  2. DAMQT 2.1.0: A new version of the DAMQT package enabled with the topographical analysis of electron density and electrostatic potential in molecules

    Journal of Computational Chemistry, Vol. 36, Núm. 31, pp. 2350-2359

2014

  1. Reactivity and fate of secondary alkane sulfonates (SAS) in marine sediments

    Environmental Pollution, Vol. 189, pp. 35-42

2010

  1. Anaerobic degradation pathway of linear alkylbenzene sulfonates (IAS) in sulfate-reducing marine sediments

    Environmental Science and Technology, Vol. 44, Núm. 5, pp. 1670-1676

2009

  1. DAMQT: A package for the analysis of electron density in molecules

    Computer Physics Communications, Vol. 180, Núm. 9, pp. 1654-1660

2007

  1. Anaerobic degradation of linear alkylbenzene sulfonates in coastal marine sediments

    Environmental Science and Technology, Vol. 41, Núm. 10, pp. 3573-3579

  2. Monitoring the primary biodegradation of linear alkylbenzene sulfonates and their coproducts in anoxic sediments using liquid chromatography-mass spectrometry

    Environmental Science and Technology, Vol. 41, Núm. 10, pp. 3580-3586