Prof. Dr. Rochus Schmid
Ruhr-Universität Bochum
H-index: 43
Europe-Germany
Top articles of Prof. Dr. Rochus Schmid
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
A computational chemistry study on the evolution of oxygen functional groups during char burnout | Fuel | Özlem Yönder Gunnar Schmitz Rochus Schmid Bastian Schnieder Christof Hättig | 2024/6/1 |
Simulating the Breathing Phase Transitions of Metal-organic Frameworks: Volume Control of Nanocrystallites | Rochus Schmid Larissa Schaper | 2023/4/19 | |
Modulating Liquid–Liquid Transitions and Glass Formation in Zeolitic Imidazolate Frameworks by Decoration with Electron-Withdrawing Cyano Groups | Journal of the American Chemical Society | Jianbo Song Louis Frentzel-Beyme Roman Pallach Pascal Kolodzeiski Athanasios Koutsianos | 2023/4/18 |
Simulating the structural phase transitions of metal-organic frameworks with control over the volume of nanocrystallites | Communications Chemistry | Larissa Schaper Rochus Schmid | 2023/10/28 |
Understanding MOF flexibility: An analysis focused on pillared layer MOFs as a model system | Irena Senkovska Volodymyr Bon Leila Abylgazina Matthias Mendt Jan Berger | 2023/8/14 | |
Computing chemical potentials of adsorbed or confined fluids | The Journal of Chemical Physics | Rochus Schmid Bingqing Cheng | 2023/4/28 |
Photochemical Sandmeyer‐type Halogenation of Arenediazonium Salts | Chemistry–A European Journal | Nardana Sivendran Florian Belitz Daniel Sowa Prendes Ángel Manu Martínez Rochus Schmid | 2022/2/16 |
Thermicity of the Decomposition of Oxygen Functional Groups on Cellulose-Derived Chars | ACS omega | Christin Pflieger Till Eckhard Gunnar Schmitz Vanessa Angenent Maximilian Göckeler | 2022/12/15 |
MD studies of methanol confined in the metal-organic framework MOF MIL-88B-Cl | Journal of Molecular Liquids | Siwarut Siwaipram Philippe A Bopp Panyapat Ponchai Jean-Christophe Soetens Jun-ya Hasegawa | 2022/8/1 |
Exploring the impact of the linker length on heat transport in metal–organic frameworks | Nanomaterials | Sandro Wieser Tomas Kamencek Rochus Schmid Natalia Bedoya-Martínez Egbert Zojer | 2022/6/22 |
Influence of flexible side-chains on the breathing phase transition of pillared layer MOFs: a force field investigation | Faraday Discussions | Julian Keupp Johannes P Dürholt Rochus Schmid | 2021 |
Beyond the Scholl reaction–one-step planarization and edge chlorination of nanographenes by mechanochemistry | RSC advances | Daniel M Baier Sven Grätz Babak Farhadi Jahromi Sarah Hellmann Konrad Bergheim | 2021 |
Innenrücktitelbild: Configurational Entropy Driven High‐Pressure Behaviour of a Flexible Metal–Organic Framework (MOF)(Angew. Chem. 2/2021). | Angewandte Chemie | Pia Vervoorts Julian Keupp Andreas Schneemann Claire L Hobday Dominik Daisenberger | 2021/1/11 |
Novel computational tools: general discussion | Faraday Discussions | Thomas D Bennett Lee Brammer François-Xavier Coudert Jack D Evans Michael Fischer | 2021 |
An automatized workflow from molecular dynamic simulation to quantum chemical methods to identify elementary reactions and compute reaction constants | Journal of Computational Chemistry | Gunnar Schmitz Özlem Yönder Bastian Schnieder Rochus Schmid Christof Hättig | 2021/12/15 |
Inside Back Cover: Configurational Entropy Driven High‐Pressure Behaviour of a Flexible Metal–Organic Framework (MOF)(Angew. Chem. Int. Ed. 2/2021) | Angewandte Chemie International Edition | Pia Vervoorts Julian Keupp Andreas Schneemann Claire L Hobday Dominik Daisenberger | 2021/1/11 |
Advanced characterisation techniques: multi-scale, in situ, and time-resolved: general discussion | Faraday Discussions | Lee Brammer Andrew D Burrows Samantha Yu-ling Chong Gavin Craig Jack Evans | 2021 |
Molecular dynamics simulations of the breathing phase transition of MOF nanocrystallites II | Larissa Schaper Julian Keupp Rochus Schmid | 2021/10/25 | |
Configurational Entropy Driven High‐Pressure Behaviour of a Flexible Metal–Organic Framework (MOF) | Angewandte Chemie | Pia Vervoorts Julian Keupp Andreas Schneemann Claire L Hobday Dominik Daisenberger | 2021/1/11 |
Materials breaking the rules: general discussion | Faraday Discussions | Matthew Addicoat Thomas D Bennett Lee Brammer Gavin Craig Chinmoy Das | 2021 |
Co-Authors
