ROP of R-manOCA: DFT study

ROP of R-manOCA: DFT study

ROP of R-manOCA: DFT study Protocol:ωB97XD/6-31++G(d,p)/SCRF=(cpcm,solvent=chloroform) Gaussian09 rev A.02 output file

Subjects:

Cite this dataset as:
Buchard, A., 2013. ROP of R-manOCA: DFT study. figshare. https://doi.org/10.6084/m9.figshare.786543.

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Contributors

Matthew G. Davidson
Project Leader
CSCT

David Carbery
Project Leader
Chemistry

University of Bath
Rights Holder

Coverage

Temporal coverage:

From 3 April 2013 to 14 October 2014

Documentation

Data collection method:

DFT Protocol: rωb97xD/6-31++g(d,p)/ SCRF=(cpcm,solvent= chloroform) Software: Gaussian09 rev A.02

Funders

Engineering and Physical Sciences Research Council (EPSRC)
https://doi.org/10.13039/501100000266

Modular Helicenoid Lewis Base Catalysts Applied to Modern Synthesis and Materials
EP/J005118/1

Whorrod Research Fellowship

Publication details

Publication date: 3 September 2013
by: figshare

Version: 1

Original data publication URL: https://doi.org/10.6084/m9.figshare.786543

DOI: https://doi.org/10.6084/m9.figshare.786543

URL for this record: https://researchdata.bath.ac.uk/id/eprint/107

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http://opus.bath.ac.uk/41867

Contact information

Please contact the Research Data Service in the first instance for all matters concerning this item.

Contact person: Antoine Buchard

Departments:

Faculty of Science
Chemistry