Search

Content Types

Working Paper

(3)

Published Date

Over 3 years

(2)

Last 3 years

(1)

Keywords

AIMD simulations

Authors

3 results in Keywords: AIMD simulations

Materials Chemistry

Elucidating the germanium distribution in ITQ-13 zeolites by density functional theory

Michael Fischer, Carlos Bornes, Luís Mafra, João Rocha

Version 2 posted 18 January 2022

225

Downloads

Inorganic Chemistry

Local Distortions in a Prototypical Zeolite Framework Containing Double Four-Ring Cages: The Role of Framework Composition and Organic Guests

Michael Fischer, Linus Freymann

Version 2 posted 12 November 2020

577

Downloads

Inorganic Chemistry

Fluoride Anions in All-Silica Zeolites: Studying Preferred Fluoride Sites and Dynamic Disorder with Density Functional Theory Calculations

Michael Fischer

Version 2 posted 26 March 2021

523

Downloads