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Replication data of Buchmeiser group for: "Synthetic and Structural Peculiarities of Neutral and Cationic Molybdenum Imido and Tungsten Oxo Alkylidene Complexes Bearing Weakly Coordinating N-Heterocyclic Carbenes"
Apr 30, 2024 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF
Buchmeiser, Michael; Wang, Dongren; Schowner, Roman; Stöhr, Laura; Ziegler, Felix; Sen, Suman; Frey, Wolfgang, 2024, "Replication data of Buchmeiser group for: "Synthetic and Structural Peculiarities of Neutral and Cationic Molybdenum Imido and Tungsten Oxo Alkylidene Complexes Bearing Weakly Coordinating N-Heterocyclic Carbenes"", https://doi.org/10.18419/darus-4175, DaRUS, V1
All primary data files related to the publication. Procedures, recation conditions and used analytical equipment is discussed in detail in the experimental section or the supporting information of the paper. Novel complexes were examined via nuclear magnetic resonance (NMR) spect...
NMR-1.zip
Apr 30, 2024 - Replication data of Buchmeiser group for: "Synthetic and Structural Peculiarities of Neutral and Cationic Molybdenum Imido and Tungsten Oxo Alkylidene Complexes Bearing Weakly Coordinating N-Heterocyclic Carbenes"
ZIP Archive - 11.8 MB - MD5: f8f236a803b18435dfa962a5107c1ddc
NMR Data
NMR-2.zip
Apr 30, 2024 - Replication data of Buchmeiser group for: "Synthetic and Structural Peculiarities of Neutral and Cationic Molybdenum Imido and Tungsten Oxo Alkylidene Complexes Bearing Weakly Coordinating N-Heterocyclic Carbenes"
ZIP Archive - 12.8 MB - MD5: 7c9ac8b7358961a00d173a2f4429cff0
NMR Data
NMR-3 (2).zip
Apr 30, 2024 - Replication data of Buchmeiser group for: "Synthetic and Structural Peculiarities of Neutral and Cationic Molybdenum Imido and Tungsten Oxo Alkylidene Complexes Bearing Weakly Coordinating N-Heterocyclic Carbenes"
ZIP Archive - 23.7 MB - MD5: d4629f64de8fa2da9527ffcd0f44d20a
NMR Data
NMR-4.zip
Apr 30, 2024 - Replication data of Buchmeiser group for: "Synthetic and Structural Peculiarities of Neutral and Cationic Molybdenum Imido and Tungsten Oxo Alkylidene Complexes Bearing Weakly Coordinating N-Heterocyclic Carbenes"
ZIP Archive - 39.6 MB - MD5: 390f018b5eda69bea62e312fedd23424
NMR Data
x-ray data.zip
Apr 30, 2024 - Replication data of Buchmeiser group for: "Synthetic and Structural Peculiarities of Neutral and Cationic Molybdenum Imido and Tungsten Oxo Alkylidene Complexes Bearing Weakly Coordinating N-Heterocyclic Carbenes"
ZIP Archive - 3.7 MB - MD5: ff2ef01bea5603a382c4555c2cde57cf
x-ray data (cif)
Supplementary Data: GALÆXI Paper(University of Stuttgart)
Apr 26, 2024Numerics Research Group
This Dataverse contains supplementary material such as test case definitions and reference data accompanying the Paper: GALÆXI: Solving complex compressible flows with high-order discontinuous Galerkin methods on accelerator-based systems
Numerics Research Group(University of Stuttgart)
Apr 26, 2024Institute of Aerodynamics and Gas Dynamics
Numerics Research Group (NRG) Dataverse @ IAG
Replication Data for: Bridging Microscopic Dynamics and Hydraulic Permeability in Mechanically-Deformed Nanoporous Materials
Apr 23, 2024 - Simulation input scripts to study Transport of Water In Soft confinemenT (TWIST)
Schlaich, Alexander, 2024, "Replication Data for: Bridging Microscopic Dynamics and Hydraulic Permeability in Mechanically-Deformed Nanoporous Materials", https://doi.org/10.18419/darus-3966, DaRUS, V1
Simulation input scripts used for "Bridging Microscopic Dynamics and Hydraulic Permeability in Mechanically-Deformed Nanoporous Materials" The folders the corresponding simulation and analysis files to setup the simulation systems (SETUP), perform the GCMC/MD simulations (ISOTHER...
av_charge.py
Apr 23, 2024 - Replication Data for: Bridging Microscopic Dynamics and Hydraulic Permeability in Mechanically-Deformed Nanoporous Materials
Python Source Code - 378 B - MD5: a085f53b301feda9103fb75d599fb944
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