Density Functional Theory Study on the Demethylation Reaction between Methylamine, Dimethylamine, Trimethylamine, and Tamoxifen Catalyzed by a Fe(IV)–Oxo Porphyrin Complex-Reference-Cited by-同舟云学术

Density Functional Theory Study on the Demethylation Reaction between Methylamine, Dimethylamine, Trimethylamine, and Tamoxifen Catalyzed by a Fe(IV)–Oxo Porphyrin Complex

Published:2018-02-02 Issue:6 Volume:122 Page:1658-1671
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Alberro Nerea¹,Torrent-Sucarrat Miquel¹²³^ORCID,Arrieta Ana¹,Rubiales Gloria¹^ORCID,Cossío Fernando P.¹²^ORCID

Affiliation:

1. Department of Organic Chemistry I, Universidad del País Vasco/Euskal Herriko Unibertsitatea (UPV/EHU), Centro de Innovación en Química Avanzada (ORFEO-CINQA), Manuel Lardizabal Ibilbidea 3, 20018 San Sebastián/Donostia, Spain

2. Donostia International Physics Center (DIPC), Manuel Lardizabal Ibilbidea 4, 20018 San Sebastián/Donostia, Spain

3. Ikerbasque, Basque Foundation for Science, María Díaz de Haro 3, 6°, 48013 Bilbao, Spain

Funder

European Regional Development Fund

Eusko Jaurlaritza

Secretar?a de Estado de Investigaci?n, Desarrollo e Innovaci?n

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.7b10654