SFB 1333 "Molecular heterogeneous catalysis in confined geometries"

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Author Name: Musso, Janis Author Name: Elser, Iris

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Publication data of the Simulations for: "Reaction Mechanism of Ring-Closing Metathesis with a Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Catalyst" Apr 13, 2021 - SFB 1333 C4 - Kästner group, ITheoC Kästner, Johannes; Kesharwani, Manoj Kumar; Elser, Iris; Musso, Janis; Buchmeiser, Michael, 2021, "Publication data of the Simulations for: "Reaction Mechanism of Ring-Closing Metathesis with a Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Catalyst"", https://doi.org/10.18419/darus-1161, DaRUS, V1 All primary data files and processed data of the calculations contributing to the journal article. The input and output files of each case are given in one directory.
Replication data of Buchmeiser group for: Reaction Mechanism of Ring-Closing Metathesis with a Cationic Molybdenum Imido Alkylidene N‑Heterocyclic Carbene Catalyst Mar 25, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF Kesharwani, Manoj Kumar; Elser, Iris; Musso, Janis; Buchmeiser, Michael; Kästner, Johannes, 2021, "Replication data of Buchmeiser group for: Reaction Mechanism of Ring-Closing Metathesis with a Cationic Molybdenum Imido Alkylidene N‑Heterocyclic Carbene Catalyst", https://doi.org/10.18419/darus-1714, DaRUS, V1 DFT calculations were carried out to explore all relevant pathways for the ring-closing metathesis (RCM) reaction of a cationic molybdenum imido alkylidene N-heterocyclic carbene (NHC) catalyst with α,ω-dienes.The 1H NMR spectrum of the reaction between [Mo(N-2,6-Me2-C6H3)(CHCMe2...
Replication Data for: Synthesis of Tungsten(VI) Imido Alkylidene Bispyrrolide Complexes via the Isocyanate Route Mar 19, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF Musso, Janis; Benedikter, Mathis; Gebel, Paul; Elser, Iris; Frey, Wolfgang; Buchmeiser, Michael, 2021, "Replication Data for: Synthesis of Tungsten(VI) Imido Alkylidene Bispyrrolide Complexes via the Isocyanate Route", https://doi.org/10.18419/darus-1670, DaRUS, V1 A general route to tungsten(VI) imido alkylidene bispyrrolide complexes via the extrusion of CO2 from the reaction of one equivalent of an aryl isocyanate with WOCl4 to form the corresponding imido complexes is reported. The Dataset contains the NMR spectra of figures S1 and S2 (...

Publication data of the Simulations for: "Reaction Mechanism of Ring-Closing Metathesis with a Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Catalyst"

Apr 13, 2021 - SFB 1333 C4 - Kästner group, ITheoC

Kästner, Johannes; Kesharwani, Manoj Kumar; Elser, Iris; Musso, Janis; Buchmeiser, Michael, 2021, "Publication data of the Simulations for: "Reaction Mechanism of Ring-Closing Metathesis with a Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Catalyst"", https://doi.org/10.18419/darus-1161, DaRUS, V1

All primary data files and processed data of the calculations contributing to the journal article. The input and output files of each case are given in one directory.

Replication data of Buchmeiser group for: Reaction Mechanism of Ring-Closing Metathesis with a Cationic Molybdenum Imido Alkylidene N‑Heterocyclic Carbene Catalyst

Mar 25, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

Kesharwani, Manoj Kumar; Elser, Iris; Musso, Janis; Buchmeiser, Michael; Kästner, Johannes, 2021, "Replication data of Buchmeiser group for: Reaction Mechanism of Ring-Closing Metathesis with a Cationic Molybdenum Imido Alkylidene N‑Heterocyclic Carbene Catalyst", https://doi.org/10.18419/darus-1714, DaRUS, V1

DFT calculations were carried out to explore all relevant pathways for the ring-closing metathesis (RCM) reaction of a cationic molybdenum imido alkylidene N-heterocyclic carbene (NHC) catalyst with α,ω-dienes.The 1H NMR spectrum of the reaction between [Mo(N-2,6-Me2-C6H3)(CHCMe2...

Replication Data for: Synthesis of Tungsten(VI) Imido Alkylidene Bispyrrolide Complexes via the Isocyanate Route

Mar 19, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

Musso, Janis; Benedikter, Mathis; Gebel, Paul; Elser, Iris; Frey, Wolfgang; Buchmeiser, Michael, 2021, "Replication Data for: Synthesis of Tungsten(VI) Imido Alkylidene Bispyrrolide Complexes via the Isocyanate Route", https://doi.org/10.18419/darus-1670, DaRUS, V1

A general route to tungsten(VI) imido alkylidene bispyrrolide complexes via the extrusion of CO2 from the reaction of one equivalent of an aryl isocyanate with WOCl4 to form the corresponding imido complexes is reported. The Dataset contains the NMR spectra of figures S1 and S2 (...

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