Steric and Electronic Effects of Zirconocenealkyl-Borate Ion Pairs on Catalyst Activation: A Theoretical Study

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Main Authors: Wijitra Meelua, Tanchanok Wanjai, Julianna Oláh, Mikko Linnolahti, Jitrayut Jitonnom
Format: Article
Language:English
Published: American Chemical Society 2025-01-01
Series:ACS Omega
Online Access:https://doi.org/10.1021/acsomega.4c08377
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author Wijitra Meelua
Tanchanok Wanjai
Julianna Oláh
Mikko Linnolahti
Jitrayut Jitonnom
author_facet Wijitra Meelua
Tanchanok Wanjai
Julianna Oláh
Mikko Linnolahti
Jitrayut Jitonnom
author_sort Wijitra Meelua
collection DOAJ
format Article
id doaj-art-88bc9dadc6e743d8af7b5992b01404b1
institution Kabale University
issn 2470-1343
language English
publishDate 2025-01-01
publisher American Chemical Society
record_format Article
series ACS Omega
spelling doaj-art-88bc9dadc6e743d8af7b5992b01404b12025-01-14T11:18:16ZengAmerican Chemical SocietyACS Omega2470-13432025-01-011011082109310.1021/acsomega.4c08377Steric and Electronic Effects of Zirconocenealkyl-Borate Ion Pairs on Catalyst Activation: A Theoretical StudyWijitra Meelua0Tanchanok Wanjai1Julianna Oláh2Mikko Linnolahti3Jitrayut Jitonnom4Demonstration School, University of Phayao, Phayao, ThailandUnit of Excellence in Computational Molecular Science and Catalysis, and Division of Chemistry, School of Science, University of Phayao, Phayao, ThailandDepartment of Inorganic and Analytical Chemistry, Budapest University of Technology and Economics, Budapest, HungaryDepartment of Chemistry, University of Eastern Finland Joensuu Campus, Joensuu, FinlandUnit of Excellence in Computational Molecular Science and Catalysis, and Division of Chemistry, School of Science, University of Phayao, Phayao, Thailandhttps://doi.org/10.1021/acsomega.4c08377
spellingShingle Wijitra Meelua
Tanchanok Wanjai
Julianna Oláh
Mikko Linnolahti
Jitrayut Jitonnom
Steric and Electronic Effects of Zirconocenealkyl-Borate Ion Pairs on Catalyst Activation: A Theoretical Study
ACS Omega
title Steric and Electronic Effects of Zirconocenealkyl-Borate Ion Pairs on Catalyst Activation: A Theoretical Study
title_full Steric and Electronic Effects of Zirconocenealkyl-Borate Ion Pairs on Catalyst Activation: A Theoretical Study
title_fullStr Steric and Electronic Effects of Zirconocenealkyl-Borate Ion Pairs on Catalyst Activation: A Theoretical Study
title_full_unstemmed Steric and Electronic Effects of Zirconocenealkyl-Borate Ion Pairs on Catalyst Activation: A Theoretical Study
title_short Steric and Electronic Effects of Zirconocenealkyl-Borate Ion Pairs on Catalyst Activation: A Theoretical Study
title_sort steric and electronic effects of zirconocenealkyl borate ion pairs on catalyst activation a theoretical study
url https://doi.org/10.1021/acsomega.4c08377
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AT tanchanokwanjai stericandelectroniceffectsofzirconocenealkylborateionpairsoncatalystactivationatheoreticalstudy
AT juliannaolah stericandelectroniceffectsofzirconocenealkylborateionpairsoncatalystactivationatheoreticalstudy
AT mikkolinnolahti stericandelectroniceffectsofzirconocenealkylborateionpairsoncatalystactivationatheoreticalstudy
AT jitrayutjitonnom stericandelectroniceffectsofzirconocenealkylborateionpairsoncatalystactivationatheoreticalstudy