Works by Schmid, Rochus

Results: 46

Oberflächenchemie Metall-organischer Gerüste an der Flüssig-fest-Grenzfläche.

Published in:

Angewandte Chemie, 2011, v. 123, n. 1, p. 184, doi. 10.1002/ange.201002451

By:

Zacher, Denise;
Schmid, Rochus;
Wöll, Christof;
Fischer, Roland A.

Publication type:

Article

Moleküldynamiksimulationen der Benzoldiffusion in MOF-5: Bedeutung der GerüstbewegungWir danken Prof. Roland 4;A. Fischer für Unterstützung und hilfreiche Diskussionen sowie der Alfried Krupp von Bohlen und...

Published in:

Angewandte Chemie, 2007, v. 119, n. 3, p. 467, doi. 10.1002/ange.200601746

By:

Saeed Amirjalayer;
Maxim Tafipolsky;
Rochus Schmid

Publication type:

Article

Das [Ga2(C5Me5)]+-Ion: bipyramidale Doppelkegelstruktur und schwach koordiniertes, monovalentes Ga+Organoerdmetallkomplexe von d-Block-Elementen, 41. Mitteilung. – 40. Mitteilung: Lit. [10b].

Published in:

Angewandte Chemie, 2006, v. 118, n. 7, p. 1091, doi. 10.1002/ange.200503028

By:

Beatrice Buchin;
Christian Gemel;
Thomas Cadenbach;
Rochus Schmid;
Roland A. Fischer

Publication type:

Article

Metall@MOF: Beladung hoch poröser Koordinationspolymergitter durch Metallorganische Chemische Dampfabscheidung.

Published in:

Angewandte Chemie, 2005, v. 117, n. 38, p. 6394, doi. 10.1002/ange.200462515

By:

Stephan Hermes;
Marie-Katrin Schröter;
Rochus Schmid;
Lamma Khodeir;
Martin Muhler;
Arno Tissler;
Richard W. Fischer;
Roland A. Fischer

Publication type:

Article

Dioxygen binding to Fe-MOF-74: microscopic insights from periodic QM/MM calculations.

Published in:

Canadian Journal of Chemistry, 2016, v. 94, n. 12, p. 1144, doi. 10.1139/cjc-2016-0284

By:

Moeljadi, Adhitya Mangala Putra;
Schmid, Rochus;
Hirao, Hajime

Publication type:

Article

Photochemical Sandmeyer‐type Halogenation of Arenediazonium Salts.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 9, p. 1, doi. 10.1002/chem.202103669

By:

Sivendran, Nardana;
Belitz, Florian;
Sowa Prendes, Daniel;
Manu Martínez, Ángel;
Schmid, Rochus;
Gooßen, Lukas J.

Publication type:

Article

Understanding MOF Flexibility: An Analysis Focused on Pillared Layer MOFs as a Model System.

Published in:

Angewandte Chemie, 2023, v. 135, n. 33, p. 1, doi. 10.1002/ange.202218076

By:

Senkovska, 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.;
Pöppl, Andreas;
Brunner, Eike;
Kaskel, Stefan

Publication type:

Article

Innenrücktitelbild: Configurational Entropy Driven High‐Pressure Behaviour of a Flexible Metal–Organic Framework (MOF) (Angew. Chem. 2/2021).

Published in:

Angewandte Chemie, 2021, v. 133, n. 2, p. 1047, doi. 10.1002/ange.202015816

By:

Vervoorts, Pia;
Keupp, Julian;
Schneemann, Andreas;
Hobday, Claire L.;
Daisenberger, Dominik;
Fischer, Roland A.;
Schmid, Rochus;
Kieslich, Gregor

Publication type:

Article

Configurational Entropy Driven High‐Pressure Behaviour of a Flexible Metal–Organic Framework (MOF).

Published in:

Angewandte Chemie, 2021, v. 133, n. 2, p. 800, doi. 10.1002/ange.202011004

By:

Vervoorts, Pia;
Keupp, Julian;
Schneemann, Andreas;
Hobday, Claire L.;
Daisenberger, Dominik;
Fischer, Roland A.;
Schmid, Rochus;
Kieslich, Gregor

Publication type:

Article

Identifying the Bottleneck for Heat Transport in Metal–Organic Frameworks.

Published in:

Advanced Theory & Simulations, 2021, v. 4, n. 1, p. 1, doi. 10.1002/adts.202000211

By:

Wieser, Sandro;
Kamencek, Tomas;
Dürholt, Johannes P.;
Schmid, Rochus;
Bedoya‐Martínez, Natalia;
Zojer, Egbert

Publication type:

Article

Molecular Dynamics Simulations of the "Breathing" Phase Transformation of MOF Nanocrystallites.

Published in:

Advanced Theory & Simulations, 2019, v. 2, n. 11, p. N.PAG, doi. 10.1002/adts.201900117

By:

Keupp, Julian;
Schmid, Rochus

Publication type:

Article

Cover Feature: Molecular Dynamics Investigation of the Dielectric Decrement of Ion Solutions (ChemElectroChem 11/2018).

Published in:

ChemElectroChem, 2018, v. 5, n. 11, p. 1422, doi. 10.1002/celc.201800518

By:

Pache, Dennis;
Schmid, Rochus

Publication type:

Article

Molecular Dynamics Investigation of the Dielectric Decrement of Ion Solutions.

Published in:

ChemElectroChem, 2018, v. 5, n. 11, p. 1444, doi. 10.1002/celc.201800158

By:

Pache, Dennis;
Schmid, Rochus

Publication type:

Article

Frustrated flexibility in metal-organic frameworks.

Published in:

Nature Communications, 2021, v. 12, n. 1, p. 1, doi. 10.1038/s41467-021-24188-4

By:

Pallach, Roman;
Keupp, Julian;
Terlinden, Kai;
Frentzel-Beyme, Louis;
Kloß, Marvin;
Machalica, Andrea;
Kotschy, Julia;
Vasa, Suresh K.;
Chater, Philip A.;
Sternemann, Christian;
Wharmby, Michael T.;
Linser, Rasmus;
Schmid, Rochus;
Henke, Sebastian

Publication type:

Article

Inside Back Cover: Almost Enclosed Buckyball Joints: Synthesis, Complex Formation, and Computational Simulations of Pentypticene-Extended Tribenzotriquinacene (ChemPhysChem 17/2014).

Published in:

ChemPhysChem, 2014, v. 15, n. 17, p. 3879, doi. 10.1002/cphc.201490087

By:

Henne, Stefan;
Bredenkötter, Björn;
Alaghemandi, Mohammad;
Bureekaew, Sareeya;
Schmid, Rochus;
Volkmer, Dirk

Publication type:

Article

Almost Enclosed Buckyball Joints: Synthesis, Complex Formation, and Computational Simulations of Pentypticene-Extended Tribenzotriquinacene.

Published in:

ChemPhysChem, 2014, v. 15, n. 17, p. 3855, doi. 10.1002/cphc.201402475

By:

Henne, Stefan;
Bredenkötter, Björn;
Alaghemandi, Mohammad;
Bureekaew, Sareeya;
Schmid, Rochus;
Volkmer, Dirk

Publication type:

Article

Molecular Modeling Techniques in Material Sciences. By Jörg-Rüdiger Hill, Lalitha Subramanian and Amitesh Maiti.

Published in:

ChemPhysChem, 2006, v. 7, n. 9, p. 2023, doi. 10.1002/cphc.200600187

By:

Rochus Schmid

Publication type:

Article

Rhodium‐Catalyzed ortho‐Arylation of (Hetero)aromatic Acids.

Published in:

Advanced Synthesis & Catalysis, 2019, v. 361, n. 17, p. 3925, doi. 10.1002/adsc.201900596

By:

Weber, Philip;
Rank, Christian K.;
Yalcinkaya, Enis;
Dyga, Marco;
van Lingen, Tim;
Schmid, Rochus;
Patureau, Frederic W.;
Gooßen, Lukas J.

Publication type:

Article

Cover Picture: Low-Temperature CO Oxidation over Cu-Based Metal-Organic Frameworks Monitored by using FTIR Spectroscopy (ChemCatChem 6/2012).

Published in:

ChemCatChem, 2012, v. 4, n. 6, p. 709, doi. 10.1002/cctc.201290016

By:

Noei, Heshmat;
Amirjalayer, Saeed;
Müller, Maike;
Zhang, Xiaoning;
Schmid, Rochus;
Muhler, Martin;
Fischer, Roland A.;
Wang, Yuemin

Publication type:

Article

Low-Temperature CO Oxidation over Cu-Based Metal-Organic Frameworks Monitored by using FTIR Spectroscopy.

Published in:

ChemCatChem, 2012, v. 4, n. 6, p. 755, doi. 10.1002/cctc.201200164

By:

Noei, Heshmat;
Amirjalayer, Saeed;
Müller, Maike;
Zhang, Xiaoning;
Schmid, Rochus;
Muhler, Martin;
Fischer, Roland A.;
Wang, Yuemin

Publication type:

Article

The Impact of Mesopores on the Mechanical Stability of HKUST-1: A Multiscale Investigation.

Published in:

European Journal of Inorganic Chemistry, 2016, v. 2016, n. 27, p. 4517, doi. 10.1002/ejic.201600566

By:

Dürholt, Johannes P.;
Keupp, Julian;
Schmid, and Rochus

Publication type:

Article

Surface Chemistry of Metal-Organic Frameworks at the Liquid-Solid Interface.

Published in:

Angewandte Chemie International Edition, 2011, v. 50, n. 1, p. 176, doi. 10.1002/anie.201002451

By:

Zacher, Denise;
Schmid, Rochus;
Wöll, Christof;
Fischer, Roland A.

Publication type:

Article

Substituent-Free Gallium by Hydrogenolysis of Coordinated GaCp: Synthesis and Structure of Highly Fluxional [Ru2(Ga)(GaCp)7(H)3].

Published in:

Angewandte Chemie International Edition, 2009, v. 48, n. 21, p. 3872, doi. 10.1002/anie.200805605

By:

Cadenbach, Thomas;
Gemel, Christian;
Schmid, Rochus;
Halbherr, Markus;
Yusenko, Kirill;
Cokoja, Mirza;
Fischer, Roland A.

Publication type:

Article

Cover Picture: Substituent-Free Gallium by Hydrogenolysis of Coordinated GaCp: Synthesis and Structure of Highly Fluxional [Ru2(Ga)(GaCp)7(H)3] (Angew. Chem. Int. Ed. 21/2009).

Published in:

Angewandte Chemie International Edition, 2009, v. 48, n. 21, p. 3713, doi. 10.1002/anie.200990106

By:

Cadenbach, Thomas;
Gemel, Christian;
Schmid, Rochus;
Halbherr, Markus;
Yusenko, Kirill;
Cokoja, Mirza;
Fischer, Roland A.

Publication type:

Article

MOF-FF - A flexible first-principles derived force field for metal-organic frameworks.

Published in:

Physica Status Solidi (B), 2013, v. 250, n. 6, p. 1128, doi. 10.1002/pssb.201248460

By:

Bureekaew, Sareeya;
Amirjalayer, Saeed;
Tafipolsky, Maxim;
Spickermann, Christian;
Roy, Tapta Kanchan;
Schmid, Rochus

Publication type:

Article

Understanding MOF Flexibility: An Analysis Focused on Pillared Layer MOFs as a Model System.

Published in:

Angewandte Chemie International Edition, 2023, v. 62, n. 33, p. 1, doi. 10.1002/anie.202218076

By:

Senkovska, 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.;
Pöppl, Andreas;
Brunner, Eike;
Kaskel, Stefan

Publication type:

Article

Inside Back Cover: Configurational Entropy Driven High‐Pressure Behaviour of a Flexible Metal–Organic Framework (MOF) (Angew. Chem. Int. Ed. 2/2021).

Published in:

Angewandte Chemie International Edition, 2021, v. 60, n. 2, p. 1033, doi. 10.1002/anie.202015816

By:

Vervoorts, Pia;
Keupp, Julian;
Schneemann, Andreas;
Hobday, Claire L.;
Daisenberger, Dominik;
Fischer, Roland A.;
Schmid, Rochus;
Kieslich, Gregor

Publication type:

Article

Configurational Entropy Driven High‐Pressure Behaviour of a Flexible Metal–Organic Framework (MOF).

Published in:

Angewandte Chemie International Edition, 2021, v. 60, n. 2, p. 787, doi. 10.1002/anie.202011004

By:

Vervoorts, Pia;
Keupp, Julian;
Schneemann, Andreas;
Hobday, Claire L.;
Daisenberger, Dominik;
Fischer, Roland A.;
Schmid, Rochus;
Kieslich, Gregor

Publication type:

Article

Simulating the structural phase transitions of metal-organic frameworks with control over the volume of nanocrystallites.

Published in:

Communications Chemistry, 2023, v. 6, n. 1, p. 1, doi. 10.1038/s42004-023-01025-x

By:

Schaper, Larissa;
Schmid, Rochus

Publication type:

Article

Ab initio parametrized MM3 force field for the metal-organic framework MOF-5.

Published in:

Journal of Computational Chemistry, 2007, v. 28, n. 7, p. 1169, doi. 10.1002/jcc.20648

By:

Tafipolsky, Maxim;
Amirjalayer, Saeed;
Schmid, Rochus

Publication type:

Article

Car-Parrinello simulations with a real space method.

Published in:

Journal of Computational Chemistry, 2004, v. 25, n. 6, p. 799

By:

Rochus Schmid

Publication type:

Article

Experimental Evidence for the Incorporation of Two Metals at Equivalent Lattice Positions in Mixed‐Metal Metal–Organic Frameworks.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 25, p. 5667, doi. 10.1002/chem.201905596

By:

Bitzer, Johannes;
Otterbach, Steffen;
Thangavel, Kavipriya;
Kultaeva, Anastasia;
Schmid, Rochus;
Pöppl, Andreas;
Kleist, Wolfgang

Publication type:

Article

Pentlandite rocks as sustainable and stable efficient electrocatalysts for hydrogen generation.

Published in:

Nature Communications, 2016, v. 7, n. 7, p. 12269, doi. 10.1038/ncomms12269

By:

Konkena, Bharathi;
junge Puring, Kai;
Sinev, Ilya;
Piontek, Stefan;
Khavryuchenko, Oleksiy;
Dürholt, Johannes P.;
Schmid, Rochus;
Tüysüz, Harun;
Muhler, Martin;
Schuhmann, Wolfgang;
Apfel, Ulf-Peter

Publication type:

Article

Molecular Dynamics Simulation of Benzene Diffusion in MOF-5: Importance of Lattice DynamicsWe thank Roland 4;A. Fischer for stimulating discussions and his support. The Alfried Krupp von Bohlen und Halbach-Stiftung and the Deutsche Forschungsgemeinschaft are acknowledged for financial support. MOF=metal organic framework.

Published in:

Angewandte Chemie International Edition, 2007, v. 46, n. 3, p. 463, doi. 10.1002/anie.200601746

By:

Saeed Amirjalayer;
Maxim Tafipolsky;
Rochus Schmid

Publication type:

Article

The [Ga.

Published in:

Angewandte Chemie International Edition, 2006, v. 45, n. 11, p. 1674, doi. 10.1002/anie.200690038

By:

Buchin, Beatrice;
Gemel, Christian;
Cadenbach, Thomas;
Schmid, Rochus;
Fischer, Roland A.

Publication type:

Article

The [Ga2(C5Me5)]+ Ion: Bipyramidal Double-Cone Structure and Weakly Coordinated, Monovalent Ga+Organometal Complexes of d-Block Elements, Part 41. Part 40: Ref. 10b.

Published in:

Angewandte Chemie International Edition, 2006, v. 45, n. 7, p. 1074, doi. 10.1002/anie.200503028

By:

Beatrice Buchin;
Christian Gemel;
Thomas Cadenbach;
Rochus Schmid;
Roland A. Fischer

Publication type:

Article

Metal@MOF: Loading of Highly Porous Coordination Polymers Host Lattices by Metal Organic Chemical Vapor DepositionThe authors thank the German Research Foundation (DFG) for support within the framework of the Priority Programme 1119 “CVD Materials” as well as for support within the Collaborative Research Centre SFB 558 “Metal substrate interaction in heterogeneous catalysis”. M.-K.S. is grateful to the Evangelische Studienwerk for a PhD grant.

Published in:

Angewandte Chemie International Edition, 2005, v. 44, n. 38, p. 6237, doi. 10.1002/anie.200462515

By:

Stephan Hermes;
Marie-Katrin Schröter;
Rochus Schmid;
Lamma Khodeir;
Martin Muhler;
Arno Tissler;
Richard W. Fischer;
Roland A. Fischer

Publication type:

Article

Tribenzotriquinacene Receptors for C60 Fullerene Rotors: Towards C3 Symmetrical Chiral Stators for Unidirectionally Operating Nanoratchets.

Published in:

Chemistry - A European Journal, 2014, v. 20, n. 29, p. 9100, doi. 10.1002/chem.201304980

By:

Bredenkötter, Björn;
Grzywa, Maciej;
Alaghemandi, Mohammad;
Schmid, Rochus;
Herrebout, Wouter;
Bultinck, Patrick;
Volkmer, Dirk

Publication type:

Article

Eine kryoflexible kovalente organische Gerüststruktur für die effiziente Trennung von Wasserstoffisotopen durch Quantensieben.

Published in:

Angewandte Chemie, 2013, v. 125, n. 50, p. 13461, doi. 10.1002/ange.201307443

By:

Oh, Hyunchul;
Kalidindi, Suresh Babu;
Um, Youngje;
Bureekaew, Sareeya;
Schmid, Rochus;
Fischer, Roland A.;
Hirscher, Michael

Publication type:

Article

An automatized workflow from molecular dynamic simulation to quantum chemical methods to identify elementary reactions and compute reaction constants.

Published in:

Journal of Computational Chemistry, 2021, v. 42, n. 32, p. 2264, doi. 10.1002/jcc.26757

By:

Schmitz, Gunnar;
Yönder, Özlem;
Schnieder, Bastian;
Schmid, Rochus;
Hättig, Christof

Publication type:

Article

QuickFF: A program for a quick and easy derivation of force fields for metal-organic frameworks from ab initio input.

Published in:

Journal of Computational Chemistry, 2015, v. 36, n. 13, p. 1015, doi. 10.1002/jcc.23877

By:

Vanduyfhuys, Louis;
Vandenbrande, Steven;
Verstraelen, Toon;
Schmid, Rochus;
Waroquier, Michel;
Van Speybroeck, Veronique

Publication type:

Article

Corrigendum: Flexibility and Sorption Selectivity in Rigid Metal-Organic Frameworks: The Impact of Ether-Functionalised Linkers.

Published in:

Chemistry - A European Journal, 2011, v. 17, n. 2, p. 411, doi. 10.1002/chem.201190003

By:

Henke, Sebastian;
Schmid, Rochus;
Grunwaldt, Jan-Dierk;
Fischer, Roland A.

Publication type:

Article

Flexibility and Sorption Selectivity in Rigid Metal-Organic Frameworks: The Impact of Ether-Functionalised Linkers.

Published in:

Chemistry - A European Journal, 2010, v. 16, n. 48, p. 14296, doi. 10.1002/chem.201002341

By:

Henke, Sebastian;
Schmid, Rochus;
Grunwaldt, Jan-Dierk;
Fischer, Roland A.

Publication type:

Article

Exploring the Impact of the Linker Length on Heat Transport in Metal–Organic Frameworks.

Published in:

Nanomaterials (2079-4991), 2022, v. 12, n. 13, p. 2142, doi. 10.3390/nano12132142

By:

Wieser, Sandro;
Kamencek, Tomas;
Schmid, Rochus;
Bedoya-Martínez, Natalia;
Zojer, Egbert

Publication type:

Article

A Cryogenically Flexible Covalent Organic Framework for Efficient Hydrogen Isotope Separation by Quantum Sieving.

Published in:

Angewandte Chemie International Edition, 2013, v. 52, n. 50, p. 13219, doi. 10.1002/anie.201307443

By:

Oh, Hyunchul;
Kalidindi, Suresh Babu;
Um, Youngje;
Bureekaew, Sareeya;
Schmid, Rochus;
Fischer, Roland A.;
Hirscher, Michael

Publication type:

Article

Retrofitting metal-organic frameworks.

Published in:

Nature Communications, 2019, v. 10, n. 1, p. N.PAG, doi. 10.1038/s41467-019-12876-1

By:

Schneider, Christian;
Bodesheim, David;
Keupp, Julian;
Schmid, Rochus;
Kieslich, Gregor

Publication type:

Article