基本信息
views: 192
![](https://originalfileserver.aminer.cn/sys/aminer/icon/show-trajectory.png)
Bio
Odile Eisenstein is a computational chemist who has worked in very strong symbiosis with leading experimental chemists to address questions on structures, properties and reactivity of complex molecular species. Her research concerns molecular organic and organometallic chemistry often with direct impact in homogeneous catalysis. Characteristically, she always interprets her results in terms that are familiar to the chemical experimental community and extracts concepts which could suggest new experiments. Some of her major achievements include: the first computational explanation of enantioselectivity, the successful prediction of the counterintuitive structure of d0 metal alkyls, MR6, the effect of agostic interactions on metal-carbon bonds, the understanding of the attractive interaction between metal hydrides and H-bond donors (the di-hydrogen bond), understanding the basis of the enormous NMR H-H coupling constants in some metal hydride complexes that arise through quantum mechanical tunnelling, overcoming the challenge of applications in reactivity of lanthanide complexes. the successful prediction of the effect of ortho-fluorine substituents on the strength of metal-carbon bonds, the role of the re-bound mechanism in C-H bond activation, the importance of outer-sphere processes in several catalytic mechanisms, the identification of unexpected rate-determining steps in olefin metathesis with direct predictive consequences on diastereoselectivity, the electronic origin of the shielding tensor for metal-bonded 13C NMR, relating NMR to molecular orbitals and reactivity, the unravelling of the mechanism of the Grignard reaction with appropriate representation of the solvent, thermodynamics and statistics.
Research Interests
Papers共 103 篇Author StatisticsCo-AuthorSimilar Experts
By YearBy Citation主题筛选期刊级别筛选合作者筛选合作机构筛选
时间
引用量
主题
期刊级别
合作者
合作机构
Faraday discussionsno. 0 (2023): 210-221
Faraday discussionsno. 0 (2023): 336-355
Faraday discussionsno. 0 (2023): 434-454
Faraday discussionsno. 0 (2023): 96-118
ioChem-BD Computational Chemistry Datasets (2022)
Israel Journal of Chemistryno. 1-2 (2022)
PATAI'S Chemistry of Functional Groupspp.1-32, (2017)
Load More
Author Statistics
Co-Author
Co-Institution
D-Core
- 合作者
- 学生
- 导师
Data Disclaimer
The page data are from open Internet sources, cooperative publishers and automatic analysis results through AI technology. We do not make any commitments and guarantees for the validity, accuracy, correctness, reliability, completeness and timeliness of the page data. If you have any questions, please contact us by email: report@aminer.cn