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Date: Tue Apr 16 08:50:29 2019
Subject: 19.04.16 PostDoc in Computational Chemistry in Dijon (France)
Duration: 1 year
Deadline for application: 15.07.2019
Net salary: about 2000/month after tax
Start date: from July 2019

A postdoctoral position in Computational Chemistry is available in the 
group of Pr. Paul Fleurat-Lessard (
in Dijon at the Institut de Chimie Molculaire (
in the Bourgogne Franche Comt University (France). The successful 
candidate will apply electronic structure theory, DFT methods to 
investigate organometallic chemistry mechanism.

More specifically, this project corresponds to the theoretical study
 associated to the ALCATRAS ANR. The ALCATRAS project is a fundamental
 research project aimed at developing innovative catalytic tools for 
CH functionalization of heteroaromatics and CO2 activation. 

The aim of the post-doctoral project is to help designing new ligands
 for new selectivity in CH activation. For this, we will analyse
 the electronic structure of the ligands and catalysts with AIM, ELF and NCI approaches to find chemical descriptors of the target reactions.[1,2]
In parallel, we will also study the mechanism of the CH activation
 using our home code to find the transition states.[3,4]

- PhD in theoretical or computational chemistry or physics
- some knowledge of organometallic chemistry (especially with palladium)
- Be a curious and self-driven person
- Experience in mechanistic studies
- Some programming skills would be a plus.

[1] Dalton Transactions, 2018, 47, 11203-11218. doi:10.1039/C8DT02364F
[2] Inorg. Chem. 2016, 55, 10907-10921. doi:10.1021/acs.inorgchem.6b01318
[3] Adv. Synth. Catal. 2019, 361,151 - 159. doi:10.1002/adsc.201801225
[4] ACS Catalysis 2018, 8, 30673075. doi:10.1021/acscatal.8b00544; ACS Catal. 2017, 7, 84938501. doi:10.1021/acscatal.7b03186
Interested applicants should send a cover letter outlining their skill set
and their research and career goals, a CV, and the contact details for
two academic references. 
Please submit the requested information by e-mail to:
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Please let your prospective employer know that you learned about the job from the Computational Chemistry List Job Listing at If you are not interested in this particular position yourself, pass it to someone who might be -- some day they may return the favor.
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