Principal component analysis of Mn(salen) catalysts-Reference-Cited by-同舟云学术

Principal component analysis of Mn(salen) catalysts

Published:2014 Issue:46 Volume:16 Page:25364-25376
ISSN:1463-9076
Container-title:Phys. Chem. Chem. Phys.
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Teixeira Filipe¹²³⁴⁵,Mosquera Ricardo A.⁶⁷⁸⁹,Melo André¹²³⁴⁵,Freire Cristina¹²³⁴⁵,Cordeiro M. Natália D. S.¹²³⁴⁵

Affiliation:

1. REQUIMTE

2. Departamento de Química e Bioquímica

3. Faculdade de Ciê ncias

4. Universidade do Porto

5. 4169-007 Porto, Portugal

6. Departamento de Química Física

7. Facultade de Química

8. Universidade de Vigo

9. 36310 Vigo, Spain

Abstract

In this work, the Jacobsen catalyst is decomposed under different truncation schemes, allowing the establishment of structure–property relationships for several Mn(salen) complexes.

Funder

Fundação para a Ciência e a Tecnologia

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2014/CP/C4CP00721B

Reference58 articles.

1. (Salen)Mn-Catalyzed Epoxidation of Alkenes: A Two-Zone Process with Different Spin-State Channels as Suggested by DFT Study

2. (Salen)Mn(III) Compound as a Nonpeptidyl Mimic of Catalase: DFT Study of the Metal Oxidation by a Peroxide Molecule

3. (salen)MnIII Compounds as Nonpeptidyl Mimics of Catalase. Mechanism-Based Tuning of Catalase Activity: A Theoretical Study

4. (Salen)Mn(III)-Catalyzed Epoxidation Reaction as a Multichannel Process with Different Spin States. Electronic Tuning of Asymmetric Catalysis: A Theoretical Study

5. Use of multivariate methods in the analysis of calculated reaction pathways

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