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List of works by Titus S van Erp

29Si NMR and UV−Raman Investigation of Initial Oligomerization Reaction Pathways in Acid-Catalyzed Silica Sol−Gel Chemistry

A procedure to find thermodynamic equilibrium constants for CO2 and CH4 adsorption on activated carbon.

scientific article published on March 2015

A standardization for BET fitting of adsorption isotherms

A test on reactive force fields for the study of silica dimerization reactions

scientific article published on November 2015

Ab Initio Molecular Dynamics Study on the Interactions between Carboxylate Ions and Metal Ions in Water.

scientific article published on 3 August 2015

Adsorption of Polar Enantiomers in Achiral Zeolites

Analyzing Complex Reaction Mechanisms Using Path Sampling

scientific article

Can One Predict DNA Transcription Start Sites by Studying Bubbles?

scientific article published in Physical Review Letters

Continuous Synthesis Process of Hexagonal Nanoplates ofP6mOrdered Mesoporous Silica

scientific article published on 10 August 2011

Density Functional Theory Study on the Interactions of Metal Ions with Long Chain Deprotonated Carboxylic Acids.

scientific article published on 2 September 2015

Diffusion of gas mixtures in the sI hydrate structure

scientific article published on 01 June 2018

Effective Monte Carlo Scheme for Multicomponent Gas Adsorption and Enantioselectivity in Nanoporous Materials

Efficiency analysis of reaction rate calculation methods using analytical models I: The two-dimensional sharp barrier.

scientific article published in November 2006

Efficient Numerical Reconstruction of Protein Folding Kinetics with Partial Path Sampling and Pathlike Variables

scientific article published in Physical Review Letters

Enantiomeric Adsorption of Lactic Acid Mixtures in Achiral Zeolites

Enantioselective Adsorption Characteristics of Aluminum-Substituted MFI Zeolites

scholarly article by Tom P. Caremans et al published 24 August 2010 in Chemistry of Materials

Enantioselective Adsorption in Achiral Zeolites

scientific article published on 01 April 2010

Enantioselective adsorption of ibuprofen and lysine in metal–organic frameworks

article

Fast Decorrelating Monte Carlo Moves for Efficient Path Sampling

scientific article

Foundations and latest advances in replica exchange transition interface sampling

scientific article

Gluing potential energy surfaces with rare event simulations.

scientific article published on 11 May 2015

Heat and mass transfer across interfaces in complex nanogeometries.

scientific article published on 12 February 2015

Improving the mesoscopic modeling of DNA denaturation dynamics

article

Investigation of Nanoparticles Occurring in the Colloidal Silicalite-1 Zeolite Crystallization Process Using Dissolution Experiments

Investigation of the mechanism of colloidal silicalite-1 crystallization by using DLS, SAXS, and 29Si NMR spectroscopy

scientific article published in March 2010

Kinetics of intermediate-mediated self-assembly in nanosized materials: a generic model

scientific article

Local initiation conditions for water autoionization.

scientific article

Low barriers for hydrogen diffusion in sII clathrate

scientific article published in 2015

Mesoscopic modeling of DNA denaturation rates: Sequence dependence and experimental comparison

scientific article published on June 2015

Molecular dynamics in principal component space.

scientific article published on 8 February 2012

Multiscale partial charge estimation on graphene for neutral, doped and charged flakes

scientific article published on 01 August 2018

On the application of chiral amplification via adsorption

On the relation between the Langmuir and thermodynamic flux equations

article published in 2014

Permeation Rates of Oxygen through a Lipid Bilayer Using Replica Exchange Transition Interface Sampling

scientific article published on 28 December 2020

Prospects of transition interface sampling simulations for the theoretical study of zeolite synthesis

scientific article published on 25 January 2007

Proton-assisted ethylene hydration in aqueous solution.

scientific article published in March 2004

PyRETIS 2: An improbability drive for rare events

scientific article published on 19 November 2019

PyRETIS: A well-done, medium-sized python library for rare events.

scientific article published on 27 July 2017

Rare event simulations reveal subtle key steps in aqueous silicate condensation

scientific article

Rate constants for diffusive processes by partial path sampling.

scientific article published in March 2004

Reaction rate calculation by parallel path swapping

scientific article published on 25 June 2007

Simultaneous computation of free energies and kinetics of rare events

scientific article published on 31 May 2005

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scientific article published in Physical Review Letters

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