Geometry file with optimized molecular structures from the dissertation 'Development of New Methods for Catalysis with Titanocene Complexes' (doi:10.60507/FK2/FFZZDD)

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Part 2: Study Description
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Document Description

Citation

Title:

Geometry file with optimized molecular structures from the dissertation 'Development of New Methods for Catalysis with Titanocene Complexes'

Identification Number:

doi:10.60507/FK2/FFZZDD

Distributor:

bonndata

Date of Distribution:

2024-02-01

Version:

1

Bibliographic Citation:

Hilche, Tobias, 2024, "Geometry file with optimized molecular structures from the dissertation 'Development of New Methods for Catalysis with Titanocene Complexes'", https://doi.org/10.60507/FK2/FFZZDD, bonndata, V1

Study Description

Citation

Title:

Geometry file with optimized molecular structures from the dissertation 'Development of New Methods for Catalysis with Titanocene Complexes'

Identification Number:

doi:10.60507/FK2/FFZZDD

Authoring Entity:

Hilche, Tobias (University of Bonn)

Software used in Production:

TURBOMOLE

Software used in Production:

ORCA

Software used in Production:

ENSO

Software used in Production:

CENSO

Distributor:

bonndata

Access Authority:

Hilche, Tobias

Depositor:

Hilche, Tobias

Date of Deposit:

2024-01-25

Holdings Information:

https://doi.org/10.60507/FK2/FFZZDD

Study Scope

Keywords:

Chemistry, Chemistry

Abstract:

Geometriedatei im XYZ-Format der optimierten Molekülstrukturen, die in der Dissertation mit dem Titel "Entwicklung neuer Methoden für die Katalyse mit Titanocenkomplexen" abgebildet sind oder für weitere Auswertungen verwendet wurden. Bei den Molekülstrukturen handelt es sich um Titanocenkomplexe, Co-Katalysatorspezies, Additive, supramolekulare Komplexe, Edukte, Intermediate, Übergangszustände, Produkte und Reagenzien.

Geometry file in XYZ format with the optimized molecular structures depicted or used for analysis in the dissertation titled 'Development of New Methods for Catalysis with Titanocene Complexes'. These molecular structures are titanocenes, co-catalyst species, additives, supramolecular complexes, substrates, intermediates transition states, products and reagents.

Methodology and Processing

Sources Statement

Data Access

Other Study Description Materials

Related Publications

Citation

Title:

Entwicklung neuer Methoden für die Katalyse mit Titanocenkomplexen, Tobias Hilche, Dissertation, Rheinische Friedrich-Wilhelms-Universität Bonn, 2024.

Identification Number:

urn:nbn:de:hbz:5-74251

Bibliographic Citation:

Entwicklung neuer Methoden für die Katalyse mit Titanocenkomplexen, Tobias Hilche, Dissertation, Rheinische Friedrich-Wilhelms-Universität Bonn, 2024.

Other Study-Related Materials

Label:

Hilche_Strukturen_Readme.txt

Text:

Readme file for Strukturen.xyz

Notes:

text/plain

Other Study-Related Materials

Label:

Strukturen.xyz

Notes:

chemical/x-xyz