Related references
Note: Only part of the references are listed.Enhanced Menshutkin SN2 Reactivity in Mesoporous Silica: The Influence of Surface Catalysis and Confinement
Weizhong Zheng et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)
Towards molecular simulations that are transparent, reproducible, usable by others, and extensible (TRUE)
Matthew W. Thompson et al.
MOLECULAR PHYSICS (2020)
Single Molecule Investigation of Nanoconfinement Hydrophobicity in Heterogeneous Catalysis
Bin Dong et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)
Surface structure of linear nanopores in amorphous silica: Comparison of properties for different pore generation algorithms
Yong Han et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
Column Characterization and Selection Systems in Reversed-Phase High-Performance Liquid Chromatography (vol 119, pg 3674, 2019)
Petar Zuvela et al.
CHEMICAL REVIEWS (2019)
Molecular Dynamics Study of the Relation between Analyte Retention and Surface Diffusion in Reversed-Phase Liquid Chromatography
Julia Rybka et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2019)
Multiscale Simulation of Diffusion in Porous Media: From Interfacial Dynamics to Hierarchical Porosity
Ulrich Tallarek et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2019)
Application of the CLAYFF and the DREIDING Force Fields for Modeling of Alkylated Quartz Surfaces
Aleksandr Abramov et al.
LANGMUIR (2019)
First-principles-based multiscale modelling of heterogeneous catalysis
Albert Bruix et al.
NATURE CATALYSIS (2019)
Stationary-Phase Contributions to Surface Diffusion in Reversed-Phase Liquid Chromatography: Chain Length versus Ligand Density
Julia Rybka et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2019)
Quantifying Pore Width Effects on Diffusivity via a Novel 3D Stochastic Approach with Input from Atomistic Molecular Dynamics Simulations
Maria Apostolopoulou et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2019)
Insights from molecular dynamics simulations on structural organization and diffusive dynamics of an ionic liquid at solid and vacuum interfaces
Natasa Vucemilovic-Alagic et al.
JOURNAL OF COLLOID AND INTERFACE SCIENCE (2019)
Olefin Metathesis in Confined Geometries: A Biomimetic Approach toward Selective Macrocyclization
Felix Ziegler et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)
Mechanism of the Water-Gas Shift Reaction Catalyzed by Efficient Ruthenium-Based Catalysts: A Computational and Experimental Study
Robert Stepic et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2019)
Column Characterization and Selection Systems in Reversed-Phase High-Performance Liquid Chromatography
Petar Zuvela et al.
CHEMICAL REVIEWS (2019)
Diffusion of cisplatin molecules in silica nanopores: Molecular dynamics study of a targeted drug delivery system
Marjan A. Nejad et al.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2019)
Ionic Mobility within Functionalized Silica Nanopores
M. Dolores Elola et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2019)
Highly Efficient Oxidative Coupling of Thiols and Oxidation of Sulfides in the Presence of MCM-41@Tryptophan-Cd and MCM-41@Tryptophan-Hg as Novel and Recoverable Nanocatalysts
Somayeh Molaei et al.
CATALYSIS LETTERS (2018)
Hindrance Factor Expression for Diffusion in Random Mesoporous Adsorbents Obtained from Pore-Scale Simulations in Physical Reconstructions
Stefan-Johannes Reich et al.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2018)
Pore diameter dependence of catalytic activity: p-nitrobenzaldehyde conversion to an aldol product in amine-functionalized mesoporous silica
Andres Garcia et al.
JOURNAL OF CHEMICAL PHYSICS (2018)
Hindered Diffusion in Ordered Mesoporous Silicas: Insights from Pore-Scale Simulations in Physical Reconstructions of SBA-15 and KIT-6 Silica
Stefan-Johannes Reich et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2018)
Effect of Surface Chemistry on Confined Phase Behavior in Nanoporous Media: An Experimental and Molecular Modeling Study
Evan Lowry et al.
LANGMUIR (2018)
Silica-based mesoporous materials; emerging designer adsorbents for aqueous pollutants removal and water treatment
Paul N. E. Diagboya et al.
MICROPOROUS AND MESOPOROUS MATERIALS (2018)
Modelling the self-assembly of silica-based mesoporous materials
Miguel Jorge et al.
MOLECULAR SIMULATION (2018)
Confinement Facilitated Protein Stabilization As Investigated by Small-Angle Neutron Scattering
Justin Siefker et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2018)
Mesoporous Silica Nanoparticles: A Comprehensive Review on Synthesis and Recent Advances
Reema Narayan et al.
PHARMACEUTICS (2018)
Creating realistic silica nanopores for molecular dynamics simulations
Julian Geske et al.
MOLECULAR SIMULATION (2017)
Surface Diffusion of Aromatic Hydrocarbon Analytes in Reversed-Phase Liquid Chromatography
Julia Rybka et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2017)
Molecular Mechanisms Underlying Solute Retention at Heterogeneous Interfaces
Krystel El Hage et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2017)
A new view on surface diffusion from molecular dynamics simulations of solute mobility at chromatographic interfaces
Julia Rybka et al.
FLUID PHASE EQUILIBRIA (2016)
A Molecular Dynamics View on Hydrophilic Interaction Chromatography with Polar-Bonded Phases: Properties of the Water-Rich Layer at a Silica Surface Modified with Diol-Functionalized Alkyl Chains
Sergey M. Melnikov et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2016)
A new method for the generation of realistic atomistic models of siliceous MCM-41
Christopher D. Williams et al.
MICROPOROUS AND MESOPOROUS MATERIALS (2016)
Complementary Molecular Dynamics and X-ray Reflectivity Study of an Imidazolium-Based Ionic Liquid at a Neutral Sapphire Interface
Zlatko Brkljaca et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2015)
Selective functionalization of the mesopores of SBA-15
Jonathan D. Webb et al.
MICROPOROUS AND MESOPOROUS MATERIALS (2015)
How Ternary Mobile Phases Allow Tuning of Analyte Retention in Hydrophilic Interaction Liquid Chromatography
Sergey M. Melnikov et al.
ANALYTICAL CHEMISTRY (2013)
Molecular simulation studies of reversed-phase liquid chromatography
Rebecca K. Lindsey et al.
JOURNAL OF CHROMATOGRAPHY A (2013)
Adsorption of Water-Acetonitrile Mixtures to Model Silica Surfaces
Sergey M. Melnikov et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2013)
A Molecular Dynamics Study on the Partitioning Mechanism in Hydrophilic Interaction Chromatography
Sergey M. Melnikov et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2012)
Kinetic Monte Carlo Simulation of the Synthesis of Periodic Mesoporous Silicas SBA-2 and STAC-1: Generation of Realistic Atomistic Models
Carlos A. Ferreiro-Rangel et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2012)
A Review: Fundamental Aspects of Silicate Mesoporous Materials
Zeid A. ALOthman
MATERIALS (2012)
Composition, Structure, and Mobility of Water-Acetonitrile Mixtures in a Silica Nanopore Studied by Molecular Dynamics Simulations
Sergey M. Melnikov et al.
ANALYTICAL CHEMISTRY (2011)
Influence of Surface Groups on the Diffusion of Gases in MCM-41: A Molecular Dynamics Study
Jennifer J. Williams et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2011)
Ordered mesoporous materials as solid supports for rhodium-diphosphine catalysts with remarkable hydroformylation activity
Fabrizio Marras et al.
CHEMICAL COMMUNICATIONS (2010)
Effect of Surface Group Functionalization on the CO2/N2 Separation Properties of MCM-41: A Grand-Canonical Monte Carlo Simulation Study
Jennifer J. Williams et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2010)
The effects of chain length, embedded polar groups, pressure, and pore shape on structure and retention in reversed-phase liquid chromatography: Molecular-level insights from Monte Carlo simulations
Jake L. Rafferty et al.
JOURNAL OF CHROMATOGRAPHY A (2009)
Describing the Diffusion of Guest Molecules Inside Porous Structures
Rajamani Krishna
JOURNAL OF PHYSICAL CHEMISTRY C (2009)
Modeling Micelle-Templated Mesoporous Material SBA-15: Atomistic Model and Gas Adsorption Studies
Supriyo Bhattacharya et al.
LANGMUIR (2009)
Cooperative catalysis by silica-supported organic functional groups
Eric L. Margelefsky et al.
CHEMICAL SOCIETY REVIEWS (2008)
Adsorption of simple fluid on silica surface and nanopore: Effect of surface chemistry and pore shape
Benoit Coasne et al.
LANGMUIR (2008)
Testing a two-state model of nanoconfined liquids: Conformational equilibrium of ethylene glycol in amorphous silica pores
Tolga S. Gulmen et al.
LANGMUIR (2006)
Automatic atom type and bond type perception in molecular mechanical calculations
Junmei Wang et al.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2006)
Generation of atomistic models of periodic mesoporous silica by kinetic Monte Carlo simulation of the synthesis of the material
C Schumacher et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2006)
Adsorption of Simple Gases in MCM-41 Materials: The Role of Surface Roughness
B Coasne et al.
LANGMUIR (2006)
Block copolymer-templated mesoporous oxides
GJDA Soler-Illia et al.
CURRENT OPINION IN COLLOID & INTERFACE SCIENCE (2003)
Cubic Ia3d large mesoporous silica: synthesis and replication to platinum nanowires, carbon nanorods and carbon nanotubes
F Kleitz et al.
CHEMICAL COMMUNICATIONS (2003)
Modeling of hydrophilic wafer bonding by molecular dynamics simulations
DA Litton et al.
JOURNAL OF APPLIED PHYSICS (2001)
Synthesis and characterization of templated mesoporous materials using molecular simulation
FR Siperstein et al.
MOLECULAR SIMULATION (2001)
The surface chemistry of amorphous silica. Zhuravlev model
LT Zhuravlev
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS (2000)
Share Paper
