SFB 1333 "Molecular heterogeneous catalysis in confined geometries"

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Publication Year: 2021

31 to 40 of 66 Results

Publication data from the Simulation part for: "Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-Ray, XAS, XES, DFT, Moessbauer and Catalysis Approach" Apr 13, 2021 - SFB 1333 C4 - Kästner group, ITheoC Kästner, Johannes; Kesharwani, Manoj Kumar, 2021, "Publication data from the Simulation part for: "Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-Ray, XAS, XES, DFT, Moessbauer and Catalysis Approach"", https://doi.org/10.18419/darus-1162, DaRUS, V1 All primary and processed data of the DFT calculation for the journal article. Each calculation (input and output files) is contained in one directory.
Publication Data for: Regio‐ and Stereospecific Cyclopolymerization of α,ω‐Diynes by Cationic Molybdenum Imido Alkylidene N‐Heterocyclic Carbene Complexes Apr 30, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF Probst, Patrick; Elser, Iris; Schowner, Roman; Benedikter, Mathis; Buchmeiser, Michael, 2021, "Publication Data for: Regio‐ and Stereospecific Cyclopolymerization of α,ω‐Diynes by Cationic Molybdenum Imido Alkylidene N‐Heterocyclic Carbene Complexes", https://doi.org/10.18419/darus-1691, DaRUS, V1, UNF:6:BwlHr5q1geHqOx5CFuqWLA== [fileUNF] All primary data files and processed data of the journal article from Buchmeiser group. Spectroscopic data of the different polymers is put into folders for each polymer, data of table 1 is given as excel sheet, and an overview of the different catalysts as .tif image is attatche...
Publication data for: "Proton Affinities of N-Heterocyclic Olefins and Their Implications for Organocatalyst Design", data from Kästner group Apr 15, 2021 - SFB 1333 C4 - Kästner group, ITheoC Schuldt, Robin; Kästner, Johannes; Naumann, Stefan, 2021, "Publication data for: "Proton Affinities of N-Heterocyclic Olefins and Their Implications for Organocatalyst Design", data from Kästner group", https://doi.org/10.18419/darus-1246, DaRUS, V1 All primary data files and processed data of the journal article from Kästner group. The input and output of each DFT calculation in one directory.
Publication data for: "Potential of triphenylphosphine as solid-state NMR probe for studying the noble metal distribution on porous supports - data from Dyballa group" Mar 9, 2021 - SFB 1333 C1 - Dyballa group, ITC Dyballa, Michael, 2021, "Publication data for: "Potential of triphenylphosphine as solid-state NMR probe for studying the noble metal distribution on porous supports - data from Dyballa group"", https://doi.org/10.18419/darus-1333, DaRUS, V1 All primary data files and processed data of the journal article from Dyballa group. NMR files are uploaded as jcampdx data.
Publication data for: "Noble metal location in porous supports determined by reaction with phosphines - data from Dyballa group" Mar 12, 2021 - SFB 1333 C1 - Dyballa group, ITC Rieg, Carolin, 2021, "Publication data for: "Noble metal location in porous supports determined by reaction with phosphines - data from Dyballa group"", https://doi.org/10.18419/darus-1253, DaRUS, V1 Different phosphines (PR3, R= phenyl, 4-methoxyphenyl) are demonstrated to be useful probe molecules for the spatial location and quantification of noble metal (NM) atoms within mesoporous and microporous support materials, such as silica A200, mesoporous SBA-15, and different ze...
Publication data for: "Molybdenum and Tungsten Alkylidyne Complexes Containing Mono-, Bi-, and Tridentate N-Heterocyclic Carbenes" - data from Buchmeiser group Apr 9, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF Elser, Iris; Groos, Jonas; Hauser, Philipp Manuel; van der Ende, Melita; Koy, Maximilian, 2021, "Publication data for: "Molybdenum and Tungsten Alkylidyne Complexes Containing Mono-, Bi-, and Tridentate N-Heterocyclic Carbenes" - data from Buchmeiser group", https://doi.org/10.18419/darus-1689, DaRUS, V1 All primary data files and processed data of the journal article from Buchmeiser group. NMR data is in the folder NMR divided in NMR experiments and pure compounds which consists of the NMR spectra of pure compounds.The TONs in table 2 were determined by GC-MS. GC-MS data is in t...
Publication data for: "Highly Reactive Cationic Molybdenum Alkylidyne N‑Heterocyclic Carbene Catalysts for Alkyne Metathesis" Aug 11, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF Groos, Jonas; Hauser, Philipp Manuel; Koy, Maximilian; Frey, Wolfgang; Buchmeiser, Michael, 2021, "Publication data for: "Highly Reactive Cationic Molybdenum Alkylidyne N‑Heterocyclic Carbene Catalysts for Alkyne Metathesis"", https://doi.org/10.18419/darus-1811, DaRUS, V1 All primary data files of measurements and processed data of the journal article from Buchmeiser group can be found here. Procedures, reaction conditions and used analytical equipment is discussed in detail in the experimental section or the supporting information of the paper. P...
Publication data for: "From Macro to Mesoporous ZnO Inverse Opals: Synthesis, Characterization and Tracer Diffusion Properties" Apr 15, 2021 - SFB 1333 A5 - Bill group, IMW Kousik, Shravan R., 2021, "Publication data for: "From Macro to Mesoporous ZnO Inverse Opals: Synthesis, Characterization and Tracer Diffusion Properties"", https://doi.org/10.18419/darus-1399, DaRUS, V1, UNF:6:hD14tiP+DJV00NtMt0Oifw== [fileUNF] This paper describes the synthesis and characterization of macro-mesoporous ZnO inverse opals through a template-based approach. In addition, the distribution and diffusion of a fluorescent organic tracer molecule (Alexa Fluor 488) through quasi-mesoporous ZnO inverse opals was i...
Publication data for: "Field evaporation and atom probe tomography of pure water tips" - data from Kästner group Apr 14, 2021 - SFB 1333 C4 - Kästner group, ITheoC Schwarz, Tim; Weikum, Erik; Meng, Kuan; Hadjixenophontos, Efi; Dietrich, Carolin; Kästner, Johannes; Stender, Patrick; Schmitz, Guido, 2021, "Publication data for: "Field evaporation and atom probe tomography of pure water tips" - data from Kästner group", https://doi.org/10.18419/darus-1462, DaRUS, V1 All primary data files and processed data of the journal article from Kästner group (DFT calculations).
Publication data for: "Experimental and Theoretical Study on the Role of Monomeric vs Dimeric Rhodium Oxazolidinone Norbornadiene Complexes in Catalytic Asymmetric 1,2- and 1,4-Additions", data from Kästner group Apr 20, 2021 - SFB 1333 C4 - Kästner group, ITheoC Gugeler, Katrin; Kästner, Johannes, 2021, "Publication data for: "Experimental and Theoretical Study on the Role of Monomeric vs Dimeric Rhodium Oxazolidinone Norbornadiene Complexes in Catalytic Asymmetric 1,2- and 1,4-Additions", data from Kästner group", https://doi.org/10.18419/darus-1251, DaRUS, V1 This dataset includes all relevant files from all theoretical calculations at DFT level and semi-empirical GFN2-xTB level. The file "complex_solvation.tgz" includes all calculations for the solvation of the dimeric complexes with water. That includes geometry optimizations. The f...

Publication data from the Simulation part for: "Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-Ray, XAS, XES, DFT, Moessbauer and Catalysis Approach"

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

Kästner, Johannes; Kesharwani, Manoj Kumar, 2021, "Publication data from the Simulation part for: "Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-Ray, XAS, XES, DFT, Moessbauer and Catalysis Approach"", https://doi.org/10.18419/darus-1162, DaRUS, V1

All primary and processed data of the DFT calculation for the journal article. Each calculation (input and output files) is contained in one directory.

Publication Data for: Regio‐ and Stereospecific Cyclopolymerization of α,ω‐Diynes by Cationic Molybdenum Imido Alkylidene N‐Heterocyclic Carbene Complexes

Apr 30, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

Probst, Patrick; Elser, Iris; Schowner, Roman; Benedikter, Mathis; Buchmeiser, Michael, 2021, "Publication Data for: Regio‐ and Stereospecific Cyclopolymerization of α,ω‐Diynes by Cationic Molybdenum Imido Alkylidene N‐Heterocyclic Carbene Complexes", https://doi.org/10.18419/darus-1691, DaRUS, V1, UNF:6:BwlHr5q1geHqOx5CFuqWLA== [fileUNF]

All primary data files and processed data of the journal article from Buchmeiser group. Spectroscopic data of the different polymers is put into folders for each polymer, data of table 1 is given as excel sheet, and an overview of the different catalysts as .tif image is attatche...

Publication data for: "Proton Affinities of N-Heterocyclic Olefins and Their Implications for Organocatalyst Design", data from Kästner group

Apr 15, 2021 - SFB 1333 C4 - Kästner group, ITheoC

Schuldt, Robin; Kästner, Johannes; Naumann, Stefan, 2021, "Publication data for: "Proton Affinities of N-Heterocyclic Olefins and Their Implications for Organocatalyst Design", data from Kästner group", https://doi.org/10.18419/darus-1246, DaRUS, V1

All primary data files and processed data of the journal article from Kästner group. The input and output of each DFT calculation in one directory.

Publication data for: "Potential of triphenylphosphine as solid-state NMR probe for studying the noble metal distribution on porous supports - data from Dyballa group"

Mar 9, 2021 - SFB 1333 C1 - Dyballa group, ITC

Dyballa, Michael, 2021, "Publication data for: "Potential of triphenylphosphine as solid-state NMR probe for studying the noble metal distribution on porous supports - data from Dyballa group"", https://doi.org/10.18419/darus-1333, DaRUS, V1

All primary data files and processed data of the journal article from Dyballa group. NMR files are uploaded as jcampdx data.

Publication data for: "Noble metal location in porous supports determined by reaction with phosphines - data from Dyballa group"

Mar 12, 2021 - SFB 1333 C1 - Dyballa group, ITC

Rieg, Carolin, 2021, "Publication data for: "Noble metal location in porous supports determined by reaction with phosphines - data from Dyballa group"", https://doi.org/10.18419/darus-1253, DaRUS, V1

Different phosphines (PR3, R= phenyl, 4-methoxyphenyl) are demonstrated to be useful probe molecules for the spatial location and quantification of noble metal (NM) atoms within mesoporous and microporous support materials, such as silica A200, mesoporous SBA-15, and different ze...

Publication data for: "Molybdenum and Tungsten Alkylidyne Complexes Containing Mono-, Bi-, and Tridentate N-Heterocyclic Carbenes" - data from Buchmeiser group

Apr 9, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

Elser, Iris; Groos, Jonas; Hauser, Philipp Manuel; van der Ende, Melita; Koy, Maximilian, 2021, "Publication data for: "Molybdenum and Tungsten Alkylidyne Complexes Containing Mono-, Bi-, and Tridentate N-Heterocyclic Carbenes" - data from Buchmeiser group", https://doi.org/10.18419/darus-1689, DaRUS, V1

All primary data files and processed data of the journal article from Buchmeiser group. NMR data is in the folder NMR divided in NMR experiments and pure compounds which consists of the NMR spectra of pure compounds.The TONs in table 2 were determined by GC-MS. GC-MS data is in t...

Publication data for: "Highly Reactive Cationic Molybdenum Alkylidyne N‑Heterocyclic Carbene Catalysts for Alkyne Metathesis"

Aug 11, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

Groos, Jonas; Hauser, Philipp Manuel; Koy, Maximilian; Frey, Wolfgang; Buchmeiser, Michael, 2021, "Publication data for: "Highly Reactive Cationic Molybdenum Alkylidyne N‑Heterocyclic Carbene Catalysts for Alkyne Metathesis"", https://doi.org/10.18419/darus-1811, DaRUS, V1

All primary data files of measurements and processed data of the journal article from Buchmeiser group can be found here. Procedures, reaction conditions and used analytical equipment is discussed in detail in the experimental section or the supporting information of the paper. P...

Publication data for: "From Macro to Mesoporous ZnO Inverse Opals: Synthesis, Characterization and Tracer Diffusion Properties"

Apr 15, 2021 - SFB 1333 A5 - Bill group, IMW

Kousik, Shravan R., 2021, "Publication data for: "From Macro to Mesoporous ZnO Inverse Opals: Synthesis, Characterization and Tracer Diffusion Properties"", https://doi.org/10.18419/darus-1399, DaRUS, V1, UNF:6:hD14tiP+DJV00NtMt0Oifw== [fileUNF]

This paper describes the synthesis and characterization of macro-mesoporous ZnO inverse opals through a template-based approach. In addition, the distribution and diffusion of a fluorescent organic tracer molecule (Alexa Fluor 488) through quasi-mesoporous ZnO inverse opals was i...

Publication data for: "Field evaporation and atom probe tomography of pure water tips" - data from Kästner group

Apr 14, 2021 - SFB 1333 C4 - Kästner group, ITheoC

Schwarz, Tim; Weikum, Erik; Meng, Kuan; Hadjixenophontos, Efi; Dietrich, Carolin; Kästner, Johannes; Stender, Patrick; Schmitz, Guido, 2021, "Publication data for: "Field evaporation and atom probe tomography of pure water tips" - data from Kästner group", https://doi.org/10.18419/darus-1462, DaRUS, V1

All primary data files and processed data of the journal article from Kästner group (DFT calculations).

Publication data for: "Experimental and Theoretical Study on the Role of Monomeric vs Dimeric Rhodium Oxazolidinone Norbornadiene Complexes in Catalytic Asymmetric 1,2- and 1,4-Additions", data from Kästner group

Apr 20, 2021 - SFB 1333 C4 - Kästner group, ITheoC

Gugeler, Katrin; Kästner, Johannes, 2021, "Publication data for: "Experimental and Theoretical Study on the Role of Monomeric vs Dimeric Rhodium Oxazolidinone Norbornadiene Complexes in Catalytic Asymmetric 1,2- and 1,4-Additions", data from Kästner group", https://doi.org/10.18419/darus-1251, DaRUS, V1

This dataset includes all relevant files from all theoretical calculations at DFT level and semi-empirical GFN2-xTB level. The file "complex_solvation.tgz" includes all calculations for the solvation of the dimeric complexes with water. That includes geometry optimizations. The f...

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