Publikationen in Zusammenarbeit mit Forschern von University College London (16)

2022

  1. Protein structural transitions critically transform the network connectivity and viscoelasticity of RNA-binding protein condensates but RNA can prevent it

    Nature Communications, Vol. 13, Núm. 1

2021

  1. The role of conserved residues in the DEDDh Motif: The proton-Transfer mechanism of HIV-1 RNase H

    ACS Catalysis, Vol. 11, pp. 7915-7927

2020

  1. JCP emerging investigator special collection 2019

    Journal of Chemical Physics, Vol. 153, Núm. 11

2017

  1. Insights into functions of the H channel of cytochrome c oxidase from atomistic molecular dynamics simulations

    Proceedings of the National Academy of Sciences of the United States of America, Vol. 114, Núm. 48, pp. E10339-E10348

2016

  1. Femtosecond predissociation dynamics of the methyl radical from the 3p z Rydberg state

    Physical Chemistry Chemical Physics, Vol. 18, Núm. 1, pp. 110-118

  2. Dynamics and Structure of Poly(ethylene oxide) Intercalated in the Nanopores of Resorcinol-Formaldehyde Resin Nanoparticles

    Macromolecules, Vol. 49, Núm. 15, pp. 5704-5713

  3. Editorial: The Future of Chemical Physics Conference 2016

    Journal of Chemical Physics

2015

  1. Comparing the electronic relaxation dynamics of aniline and d<inf>7</inf>-aniline following excitation at 272-238 nm

    Physical Chemistry Chemical Physics, Vol. 17, Núm. 25, pp. 16270-16276

2014

  1. Intercalation and confinement of poly(ethylene oxide) in porous carbon nanoparticles with controlled morphologies

    Macromolecules, Vol. 47, Núm. 24, pp. 8729-8737

2013

  1. Confinement of poly(ethylene oxide) in the nanometer-scale pores of resins and carbon nanoparticles

    Soft Matter, Vol. 9, Núm. 46, pp. 10960-10965

  2. Conformational and NMR study of some furan derivatives by DFT methods

    Journal of Molecular Modeling

  3. Mixed-field orientation of molecules without rotational symmetry

    Journal of Chemical Physics, Vol. 139, Núm. 23

2012

  1. Tunable uptake of poly(ethylene oxide) by graphite-oxide-based materials

    Carbon, Vol. 50, Núm. 14, pp. 5232-5241

2009

  1. The phase diagram of water at negative pressures: Virtual ices

    Journal of Chemical Physics, Vol. 131, Núm. 3

2005

  1. Spin-flop ordering from frustrated ferro- and antiferromagnetic interactions: A combined theoretical and experimental study of a Mn/Fe(100) monolayer

    Physical Review Letters, Vol. 95, Núm. 11

1998

  1. Using quantum rotational polarization moments to describe the stereodynamics of the H+D2(v=0,j=0)→HD(v′,j′) + D reaction

    Journal of Chemical Physics, Vol. 108, Núm. 8, pp. 3142-3153