Search

Materials Chemistry

Working Paper

Studying the adsorption of emerging organic contaminants in zeolites with dispersion-corrected density functional theory calculations: From numbers to recommendations

Michael Fischer, Jakob Brauer

Version 2 posted 20 November 2023

342

Downloads

Materials Chemistry

Working Paper

Adsorption of Carbamazepine in All-Silica Zeolites Studied with Density Functional Theory Calculations

Michael Fischer

Version 3 posted 06 December 2022

252

Downloads

Materials Science

Working Paper

Steering Polymer Growth by Molding Nanochannels: 1,5-Hexadiene Polymerization in High Silica Mordenite

Marco Fabbiani, Giorgia Confalonieri, sara morandi, Rossella Arletti, Simona Quartieri, Mario Santoro, Francesco Di Renzo, Julien Haines, Riccardo Fantini, gloria tabacchi, Ettore Fois, Giovanna Vezzalini, Gianmario Martra

Version 2 posted 30 April 2020

650

Downloads

Materials Science

Working Paper

The need for operando modelling of 27Al NMR in zeolites

Chen Lei, Andreas Erlebach, Federico Brivio, Lukas Grajciar, Zdeněk Tošner, Christopher Heard, Petr Nachtigall

Version 1 posted 09 March 2023

234

Downloads

Materials Chemistry

Working Paper

Revisiting the structure of calcined and hydrated AlPO-11 with DFT-based molecular dynamics simulations

Michael Fischer

Version 1 posted 01 July 2021

242

Downloads

Materials Chemistry

Working Paper

Systematic Study of the Thermal Properties of Zeolitic Frameworks

Maxime Ducamp, François-Xavier Coudert

Version 2 posted 23 June 2021

700

Downloads

Earth, Space, and Environmental Chemistry

Working Paper

Simulation-Based Evaluation of Zeolite Adsorbents for the Removal of Emerging Contaminants

Michael Fischer

Version 2 posted 27 March 2020

1,079

Downloads

Organometallic Chemistry

Working Paper

Mechanism and Kinetics of Methylating C6–C12 Methylbenzenes with Methanol and DME in H-MFI Zeolites

Mykela DeLuca, Pavlo Kravchenko, Alexander Hoffman, David Hibbitts

Version 1 posted 22 April 2019

777

Downloads

Inorganic Chemistry

Working Paper

Structure and 3D-3D Topotactic Transformation of the Aluminophosphate Molecular Sieve PST-5 and Its Implication in New Zeolite Structure Generation

Zhehao Huang, Seungwan Seo, Jiho Shin, Bin Wang, Rob Bell, Suk Bong Hong, Xiaodong Zou

Version 3 posted 13 July 2020

767

Downloads

Inorganic Chemistry

Working Paper

Proton Acidity and Proton Mobility in ECR-40, a Silicoaluminophosphate That Violates Löwenstein’s Rule

Michael Fischer

Version 1 posted 14 June 2019

523

Downloads

Refine Search

60 results in Zeolites in Keywords: Zeolites

Studying the adsorption of emerging organic contaminants in zeolites with dispersion-corrected density functional theory calculations: From numbers to recommendations

Adsorption of Carbamazepine in All-Silica Zeolites Studied with Density Functional Theory Calculations

Steering Polymer Growth by Molding Nanochannels: 1,5-Hexadiene Polymerization in High Silica Mordenite

The need for operando modelling of 27Al NMR in zeolites

Revisiting the structure of calcined and hydrated AlPO-11 with DFT-based molecular dynamics simulations

Systematic Study of the Thermal Properties of Zeolitic Frameworks

Simulation-Based Evaluation of Zeolite Adsorbents for the Removal of Emerging Contaminants

Mechanism and Kinetics of Methylating C6–C12 Methylbenzenes with Methanol and DME in H-MFI Zeolites

Structure and 3D-3D Topotactic Transformation of the Aluminophosphate Molecular Sieve PST-5 and Its Implication in New Zeolite Structure Generation

Proton Acidity and Proton Mobility in ECR-40, a Silicoaluminophosphate That Violates Löwenstein’s Rule

60 results in Keywords: Zeolites