List of works - Erik Santiso

A CGenFF-based force field for simulations of peptoids with both cis and trans peptide bonds

scientific article published on 06 May 2019

A general set of order parameters for molecular crystals ⬇️

scientific article published on February 14, 2011

Adsorption and catalysis: The effect of confinement on chemical reactions

scientific article published in October 2005

Binding Affinity of a Small Molecule to an Amorphous Polymer in a Solvent. Part 2: Preferential Binding to Local Sites on a Surface ⬇️

scientific article published on September 21, 2011

Computationally Mapping pKa Shifts Due to the Presence of a Polyelectrolyte Chain around Whey Proteins

scientific article published in September 2017

Computer Simulations of Homogeneous Nucleation of Benzene from the Melt ⬇️

scientific article published on August 12, 2011

Conformal Sites Theory for Adsorbed Films on Energetically Heterogeneous Surfaces

scientific article published on 12 February 2020

Development of a fused-sphere SAFT-γ Mie force field for poly(vinyl alcohol) and poly(ethylene)

scientific article published on 01 January 2019

Effect of Confinement on Chemical Reactions

scientific article published in July 2005

Effect of Confinement on Freezing of CCl4 in Cylindrical Pores

scientific article published in July 2005

Extending the fused-sphere SAFT-γ Mie force field parameterization approach to poly(vinyl butyral) copolymers

scientific article published on 01 January 2020

Modelling the interfacial behaviour of dilute light-switching surfactant solutions

scientific article published on 26 December 2014

Molecular modeling of freezing of simple fluids confined within carbon nanotubes

scientific article published in April 2005

Molecular simulation of homogeneous nucleation of crystals of an ionic liquid from the melt

scientific article published in September 2015

Morphology and proton diffusion in a coarse-grained model of sulfonated poly(phenylenes)

scientific article published on 01 September 2019

Sequestration and selective oxidation of carbon monoxide on graphene edges ⬇️

scientific article published on August 7, 2009

Solvent and additive interactions as determinants in the nucleation pathway: general discussion

Surface-Driven High-Pressure Processing

scientific article published in June 2018

The Nitric Oxide Dimer Reaction in Carbon Nanopores

scientific article

The Young-Laplace equation for a solid-liquid interface

scientific article published on 01 November 2020

List of works by Erik Santiso