The Role of Water Loading and Germanium Content in Germanosilicate Hydrolysis

Machine learning for interatomic potential models

(2020) Tim Mueller et al.   JOURNAL OF CHEMICAL PHYSICS

Selective Recovery and Recycling of Germanium for the Design of Sustainable Zeolite Catalysts

(2020) Jin Zhang et al.   ACS Sustainable Chemistry & Engineering

Zeolite (In)Stability under Aqueous or Steaming Conditions

(2020) Christopher James Heard et al.   ADVANCED MATERIALS

Synthesis and Post‐Synthesis Transformation of Germanosilicate Zeolites

(2020) Maksym Opanasenko et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Genesis and Stability of Hydronium Ions in Zeolite Channels

(2019) Meng Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Cooperative Role of Water Molecules during the Initial Stage of Water-Induced Zeolite Dealumination

(2019) Katarina Stanciakova et al.   ACS Catalysis

Fast room temperature lability of aluminosilicate zeolites

(2019) Christopher J. Heard et al.   Nature Communications

First principles, microkinetic, and experimental analysis of Lewis acid site speciation during ethanol dehydration on Sn-Beta zeolites

(2018) Brandon C. Bukowski et al.   JOURNAL OF CATALYSIS

From 3D to 2D zeolite catalytic materials

(2018) J. Přech et al.   CHEMICAL SOCIETY REVIEWS

Towards operando computational modeling in heterogeneous catalysis

(2018) Lukáš Grajciar et al.   CHEMICAL SOCIETY REVIEWS

Ab Initio energetics of SiO bond cleavage

(2017) Carolin Hühn et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Distribution of open sites in Sn-Beta zeolite

(2017) Tyler R. Josephson et al.   MICROPOROUS AND MESOPOROUS MATERIALS

In situ solid-state NMR and XRD studies of the ADOR process and the unusual structure of zeolite IPC-6

(2017) Samuel A. Morris et al.   Nature Chemistry

Active Sites of M(IV)-incorporated Zeolites (M = Sn, Ti, Ge, Zr)

(2017) Gang Yang et al.   Scientific Reports

Applications of Zeolites in Sustainable Chemistry

(2017) Yi Li et al.   Chem

Adsorption of pentane isomers on metal-organic frameworks Cu-BTC and Fe-BTC

(2015) Arnošt Zukal et al.   CATALYSIS TODAY

Advances in theory and their application within the field of zeolite chemistry

(2015) Veronique Van Speybroeck et al.   CHEMICAL SOCIETY REVIEWS

DFT Study of the Lewis Acidities and Relative Hydrothermal Stabilities of BEC and BEA Zeolites Substituted with Ti, Sn, and Ge

(2015) Brian D. Montejo-Valencia et al.   Journal of Physical Chemistry C

Exploiting chemically selective weakness in solids as a route to new porous materials

(2015) Russell E. Morris et al.   Nature Chemistry

Synthesis of ‘unfeasible’ zeolites

(2015) Michal Mazur et al.   Nature Chemistry

NMR Evidence for Specific Germanium Siting in IM-12 Zeolite

(2014) Nataliia Kasian et al.   CHEMISTRY OF MATERIALS

Preferential Location of Germanium in the UTL and IPC-2a Zeolites

(2014) Samuel O. Odoh et al.   Journal of Physical Chemistry C

Why Zeolites Have So Few Seven-Membered Rings

(2014) Xi Li et al.   Journal of Physical Chemistry C

Hierarchical Hybrid Organic–Inorganic Materials with Tunable Textural Properties Obtained Using Zeolitic-Layered Precursor

(2014) Maksym Opanasenko et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

New insights into the degermanation process of ITQ-17 zeolites

(2014) Xiaolong Liu et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Post-Synthesis Treatment gives Highly Stable Siliceous Zeolites through the Isomorphous Substitution of Silicon for Germanium in Germanosilicates

(2013) Hao Xu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Alcohol and water adsorption in zeolitic imidazolate frameworks

(2013) Ke Zhang et al.   CHEMICAL COMMUNICATIONS

Hydroxylation of silica nanoclusters (SiO2)M(H2O)N, M = 4, 8, 16, 24: stability and structural trends

(2013) Kim E. Jelfs et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

An overview of the fundamentals of the chemistry of silica with relevance to biosilicification and technological advances

(2012) David J. Belton et al.   FEBS Journal

Synthesis of isomorphously substituted extra-large pore UTL zeolites

(2012) Mariya V. Shamzhy et al.   JOURNAL OF MATERIALS CHEMISTRY

Detailed Reaction Paths for Zeolite Dealumination and Desilication From Density Functional Calculations

(2011) Sami Malola et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Isomorphous Introduction of Boron in Germanosilicate Zeolites with UTL Topology

(2011) Oleksiy V. Shvets et al.   CHEMISTRY OF MATERIALS

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Postsynthesis Transformation of Three-Dimensional Framework into a Lamellar Zeolite with Modifiable Architecture

(2011) Wieslaw J. Roth et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Role of Template Structure and Synergism between Inorganic and Organic Structure Directing Agents in the Synthesis of UTL Zeolite

(2010) Oleksiy V. Shvets et al.   CHEMISTRY OF MATERIALS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

How are Heteroelements (Ga and Ge) Incorporated in Silicate Oligomers?

(2009) Bernd Bastian Schaack et al.   CHEMISTRY-A EUROPEAN JOURNAL

Adsorption Equilibrium of Carbon Dioxide and Water Vapor on Zeolites 5A and 13X and Silica Gel: Pure Components

(2009) Yu Wang et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Ab initiocalculations of free-energy reaction barriers

(2008) T Bucko   JOURNAL OF PHYSICS-CONDENSED MATTER