Lista de obras - Titus S van Erp - Dominio Público Uruguay

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.

artículo científico publicado en 2015

A standardization for BET fitting of adsorption isotherms

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

artículo científico publicado en 2015

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

artículo científico publicado en 2015

Adsorption of Polar Enantiomers in Achiral Zeolites

Analyzing Complex Reaction Mechanisms Using Path Sampling

artículo científico publicado en 2016

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

artículo científico publicado en 2011

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

artículo científico publicado en 2015

Diffusion of gas mixtures in the sI hydrate structure

artículo científico publicado en 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.

artículo científico publicado en 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

artículo científico publicado en 2017

Foundations and latest advances in replica exchange transition interface sampling

artículo científico publicado en 2017

Gluing potential energy surfaces with rare event simulations.

artículo científico publicado en 2015

Heat and mass transfer across interfaces in complex nanogeometries.

artículo científico publicado en 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

artículo científico publicado en 2010

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

artículo científico publicado en 2010

Local initiation conditions for water autoionization.

artículo científico publicado en 2018

Low barriers for hydrogen diffusion in sII clathrate

artículo científico publicado en 2015

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

artículo científico publicado en 2015

Molecular dynamics in principal component space.

artículo científico publicado en 2012

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

artículo científico publicado en 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

artículo científico publicado en 2020

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

artículo científico publicado en 2007

Proton-assisted ethylene hydration in aqueous solution.

artículo científico publicado en 2004

PyRETIS 2: An improbability drive for rare events

artículo científico publicado en 2019

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

artículo científico publicado en 2017

Rare event simulations reveal subtle key steps in aqueous silicate condensation

artículo científico publicado en 2017

Rate constants for diffusive processes by partial path sampling.

artículo científico publicado en 2004

Reaction rate calculation by parallel path swapping

artículo científico publicado en 2007

Simultaneous computation of free energies and kinetics of rare events

artículo científico publicado en 2005

van Erp et al. Reply:

artículo científico publicado en 2006

Lista de obras de 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.

A standardization for BET fitting of adsorption isotherms

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

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

Adsorption of Polar Enantiomers in Achiral Zeolites

Analyzing Complex Reaction Mechanisms Using Path Sampling

Can One Predict DNA Transcription Start Sites by Studying Bubbles?

Continuous Synthesis Process of Hexagonal Nanoplates ofP6mOrdered Mesoporous Silica

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

Diffusion of gas mixtures in the sI hydrate structure

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.

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

Enantiomeric Adsorption of Lactic Acid Mixtures in Achiral Zeolites

Enantioselective Adsorption Characteristics of Aluminum-Substituted MFI Zeolites

Enantioselective Adsorption in Achiral Zeolites

Enantioselective adsorption of ibuprofen and lysine in metal–organic frameworks

Fast Decorrelating Monte Carlo Moves for Efficient Path Sampling

Foundations and latest advances in replica exchange transition interface sampling

Gluing potential energy surfaces with rare event simulations.

Heat and mass transfer across interfaces in complex nanogeometries.

Improving the mesoscopic modeling of DNA denaturation dynamics

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

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

Local initiation conditions for water autoionization.

Low barriers for hydrogen diffusion in sII clathrate

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

Molecular dynamics in principal component space.

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

On the application of chiral amplification via adsorption

On the relation between the Langmuir and thermodynamic flux equations

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

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

Proton-assisted ethylene hydration in aqueous solution.

PyRETIS 2: An improbability drive for rare events

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

Rare event simulations reveal subtle key steps in aqueous silicate condensation

Rate constants for diffusive processes by partial path sampling.

Reaction rate calculation by parallel path swapping

Simultaneous computation of free energies and kinetics of rare events

van Erp et al. Reply:

van Erp et al. Reply: