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Rochus Schmid

ruhr-universität bochum

45H-index
220Paper Count
7.0KCitation Count
Published Papers 79
Publication Date
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Deciphering the guest-free crystal structures and thermal breathing of the flexible metal–organic frameworks ZIF-7 and ZIF-9
errchem. sci.
IF0
err2026-04-16
err0
errOAAI
errAthanasios Koutsianos; Erik Svensson Grape †; Roman Pallach; Julian Keupp; Rochus Schmid; A. Ken Inge; Sebastian Henke
errShare
errSave
Computational study of the formation, migration, and decomposition of epoxy groups during the combustion of char
errFuel
IF7.5
err2026-03-18
err0
errOAAI
errBastian Schnieder; Babak Farhadi Jahromi; Rochus Schmid; Christof Hättig
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errSave
Predicting Atomic Charges in MOFs by Topological Charge Equilibration
errAdvanced Functional Materials
IF19
err2026-02-07
err0
errOAAI
errBabak Farhadi Jahromi; Sumukh Shankar Sharadaprasad; Rochus Schmid
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Computational study on the pyrolysis of 2,5-diketopiperazine: From electronic structure calculations to kinetic modeling
errFuel
IF7.5
err2026-01-25
err0
errOAAI
errBastian Schnieder; Paulo Debiagi; Matteo Pelucchi; Rochus Schmid; Christof Hättig
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errSave
A Collective Variable for Controlling Occupation in Flexible Confined Volumes
errJournal of Chemical Theory and Computation
IF5.5
err2025-07-18
err0
PREAI
errKonstantin Stracke; Babak Farhadi Jahromi; Guido H. Clever; Rochus Schmid
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errSave
Linking experimental H2O vapor adsorption on biomass char with physicochemical char properties and MD simulation
errFLUID PHASE EQUILIBRIA
IF2.7
err2025-06-10
err0
errOAAI
errEisenbach, Tim; Jahromi, Babak Farhadi; Angenent, Vanessa; Pflieger, Christin; Muhler, Martin; Schmid, Rochus; Wedler, Carsten; Span, Roland
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errSave
Quantum Chemical Study on the Evolution of Sulfur Functional Groups during Char Burnout
errThe Journal of Physical Chemistry A
IF2.8
err2025-03-27
err0
PREAI
errBastian Schnieder; Rochus Schmid; Christof Hättig
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errSave
Towards realistic structural char models: Generation of stacked graphene-like layers using constrained reactive molecular dynamics simulations
errFUEL
IF7.5
err2024-09-01
err0
errOAAI
errAngenent, Vanessa; Oelert, Daniel; Schmid, Rochus
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A computational chemistry study on the evolution of oxygen functional groups during char burnout
errFUEL
IF7.5
err2024-06-01
err0
errOAAI
errYoender, Oezlem; Schmitz, Gunnar; Schmid, Rochus; Schnieder, Bastian; Haettig, Christof
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errSave
Dielectric response of metal-organic frameworks as a function of confined guest species investigated by molecular dynamics simulations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-05-13
err1
PREAI
errJahromi, Babak Farhadi; Schmid, Rochus
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Simulating the structural phase transitions of metal-organic frameworks with control over the volume of nanocrystallites
errCOMMUNICATIONS CHEMISTRY
IF6.2
err2023-10-28
err7
errOAAI
errSchaper, Larissa; Schmid, Rochus
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Understanding MOF Flexibility: An Analysis Focused on Pillared Layer MOFs as a Model System
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2023-05-11
err76
errOAAI
errSenkovska, Irena; Bon, Volodymyr; Abylgazina, Leila; Mendt, Matthias; Berger, Jan; Kieslich, Gregor; Petkov, Petko; Luiz Fiorio, Jhonatan; Joswig, Jan-Ole; Heine, Thomas; Schaper, Larissa; Bachetzky, Christopher; Schmid, Rochus; Fischer, Roland A. A.; Poeppl, Andreas; Brunner, Eike; Kaskel, Stefan
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errSave
Computing chemical potentials of adsorbed or confined fluids
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-04-24
err2
errOAAI
errSchmid, Rochus; Cheng, Bingqing
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errSave
Modulating Liquid-Liquid Transitions and Glass Formation in Zeolitic Imidazolate Frameworks by Decoration with Electron- Withdrawing Cyano Groups
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2023-04-18
err19
PREAI
errSong, Jianbo; Frentzel-Beyme, Louis; Pallach, Roman; Kolodzeiski, Pascal; Koutsianos, Athanasios; Xue, Wen-Long; Schmid, Rochus; Henke, Sebastian
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errSave
Thermicity of the Decomposition of Oxygen Functional Groups on Cellulose-Derived Chars
errACS OMEGA
IF4.3
err2022-12-15
err7
errOAAI
errPflieger, Christin; Eckhard, Till; Schmitz, Gunnar; Angenent, Vanessa; Goeckeler, Maximilian; Senneca, Osvalda; Schmid, Rochus; Cerciello, Francesca; Muhler, Martin
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errSave
MD studies of methanol confined in the metal-organic framework MOF MIL-88B-Cl
errJOURNAL OF MOLECULAR LIQUIDS
IF5.2
err2022-08-01
err1
errOAAI
errSiwaipram, Siwarut; Bopp, Philippe A.; Ponchai, Panyapat; Soetens, Jean-Christophe; Hasegawa, Jun-ya; Schmid, Rochus; Bureekaew, Sareeya
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errSave
Exploring the Impact of the Linker Length on Heat Transport in Metal-Organic Frameworks
errNANOMATERIALS
IF4.3
err2022-06-22
err6
errOAAI
errWieser, Sandro; Kamencek, Tomas; Schmid, Rochus; Bedoya-Martinez, Natalia; Zojer, Egbert
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Photochemical Sandmeyer-type Halogenation of Arenediazonium Salts
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2022-01-15
err10
errOAAI
errSivendran, Nardana; Belitz, Florian; Prendes, Daniel Sowa; Martinez, Angel Manu; Schmid, Rochus; Goossen, Lukas J.
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errSave
Molecular Dynamics Simulations of the Breathing Phase Transition of MOF Nanocrystallites II: Explicitly Modeling the Pressure Medium
errFRONTIERS IN CHEMISTRY
IF4.2
err2021-10-25
err9
errOAAI
errSchaper, Larissa; Keupp, Julian; Schmid, Rochus
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errSave
An automatized workflow from molecular dynamic simulation to quantum chemical methods to identify elementary reactions and compute reaction constants
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2021-10-12
err10
errOAAI
errSchmitz, Gunnar; Yoender, Ozlem; Schnieder, Bastian; Schmid, Rochus; Haettig, Christof
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errSave

Research Directions

No research directions
Co-authors
Cooperation Journals
O
Omar K. Farha
H-index: 169 · Papers: 1.2K
S
Susumu Kitagawa
H-index: 145 · Papers: 1.3K
S
Stefan Kaskel
H-index: 131 · Papers: 1.4K
R
Randall Q. Snurr
H-index: 116 · Papers: 647
R
Roland A. Fischer
H-index: 110 · Papers: 1.4K
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