Concerted [4+2] and Stepwise (2+2) Cycloadditions of Tetrafluoroethylene with Butadiene: DFT and DLPNO-UCCSD(T) Explorations

Svatunek, Dennis; Pemberton, Ryan P.; Mackey, Joel L.; Liu, Peng; Houk, K. N.

doi:10.1021/acs.joc.0c00222

Record link:

http://hdl.handle.net/20.500.12708/141724

Title:

Concerted [4+2] and Stepwise (2+2) Cycloadditions of Tetrafluoroethylene with Butadiene: DFT and DLPNO-UCCSD(T) Explorations

Citation:

Svatunek, D., Pemberton, R. P., Mackey, J. L., Liu, P., & Houk, K. N. (2020). Concerted [4+2] and Stepwise (2+2) Cycloadditions of Tetrafluoroethylene with Butadiene: DFT and DLPNO-UCCSD(T) Explorations. Journal of Organic Chemistry, 85(5), 3858–3864. https://doi.org/10.1021/acs.joc.0c00222

Publisher DOI:

10.1021/acs.joc.0c00222

Publication Type:

Article - Original Research Article

Language:

English

Authors:

Svatunek, Dennis
Pemberton, Ryan P.
Mackey, Joel L.
Liu, Peng
Houk, K. N.

Organisational Unit:

E163-03-2 - Forschungsgruppe Molekulare Chemie und Chemische Biologie

Journal:

Journal of Organic Chemistry

ISSN:

0022-3263

Date (published):

2020

Number of Pages:

Publisher:

AMER CHEMICAL SOC

Peer reviewed:

Yes

Keywords:

Organic Chemistry

Research Areas:

Computational Materials Science: 50%
außerhalb der gesamtuniversitären Forschungsschwerpunkte: 50%

Science Branch:

Chemie
Informatik

Appears in Collections:

Article

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