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List of works by Guido Falk von Rudorff

Acidity Constants of the Hematite-Liquid Water Interface from Ab Initio Molecular Dynamics

scientific article published on 12 September 2018

Atoms in Molecules from Alchemical Perturbation Density Functional Theory

scientific article published on 14 November 2019

Conformational Space of a Polyphilic Molecule with a Fluorophilic Side Chain Integrated in a DPPC Bilayer

scientific article published on 01 April 2017

Cysteine Linkages Accelerate Electron Flow through Tetra-Heme Protein STC.

scientific article published on 9 November 2017

Data enhanced Hammett-equation: reaction barriers in chemical space

scientific article published on 02 October 2020

Dynamic stabilization of metal oxide-water interfaces.

scientific article published on 8 February 2017

Effects of perturbation order and basis set on alchemical predictions

scientific article published on 01 October 2020

Fast Interconversion of Hydrogen Bonding at the Hematite (001)-Liquid Water Interface

scientific article published on 15 March 2016

Foraging on the potential energy surface: a swarm intelligence-based optimizer for molecular geometry

scientific article published in November 2012

Hematite(001)-liquid water interface from hybrid density functional-based molecular dynamics

scientific article published on 28 July 2016

Improving the Performance of Hybrid Functional-Based Molecular Dynamics Simulation through Screening of Hartree-Fock Exchange Forces.

scientific article published on 28 March 2017

Perfluoroalkane force field for lipid membrane environments

scientific article published on 17 October 2014

Rapid and accurate molecular deprotonation energies from quantum alchemy

scientific article published on 21 January 2020

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