Poranne Research Group

About

The Poranne Group is a research group working in the field of computational physical organic chemistry. Since October 2021, our group is located in the Schulich Faculty of Chemistry at the Technion—Israel Institute of Technology. We first started working in 2017 as a sub-group within the laboratory of Prof. Dr. Peter Chen at the Laboratorium für Organische Chemie at the ETH Zürich.

Our work focuses on polycyclic aromatic system, ranging from fundamental investigation into molecular properties and structure-property relationships to use of machine-learning and deep-learning models for data-driven molecular design and discovery. We uncover useful and intuitive connections between structural features and molecular properties, and develop user-friendly pipelines and methods that help connect these abstract properties to real-world synthetic strategies.
In addition, we work closely with collaborators around the world to better understand the reactivity and behavior of polyclic aromatic systems, and to leverage their unique properties for various applications. Though our current focus in on polycyclic aromatic systems, we are happy to explore other research directions.

The group believes in an inclusive and collaborative culture, where team-work and mutual respect are top priorities. We are always open to receiving new members who are excited about learning and who are motivated to work towards advancing our understanding of chemistry and molecular design.

Recent Publications

These are the five most recent publications. Please click on the title of the paper to access the version of record or email us to obtain an author's version. For all publications, please click here.

Extensive Redox Non-Innocence in Iron Bipyridine-Diimine Complexes: a Combined Spectroscopic and Computational Study

Ranjeesh Thenarukandiyil, Eno Paenurk, Anthony Wong, Natalia Fridman, Amir Karton, Raanan Carmieli, Gabriel Ménard, Renana Gershoni-Poranne*, and Graham de Ruiter*
Inorganic Chemistry, November 2021

Tuning Magnetic Interactions Between Triphenylene Radicals by Variation of Crystal Packing in Structures with Alkali Metal Counterions

Zheng Zhou, Ökten Üngör, Zheng Wei, Michael Shatruk*, Alexandra Tsybizova, Renana Gershoni-Poranne*, and Marina Petrukhina*
Inorganic Chemistry, September 2021

Chapter 4: NICS — Nucleus Independent Chemical Shift 

Preprint
Renana Gershoni-Poranne*   and Amnon Stanger*
Aromaticity: Modern Computational Methods and Applications, May 2021
Edited by: Israel Fernandez
Published by: Elsevier
 

Predicting bond-currents in polybenzenoid hydrocarbons with an additivity scheme

Eno Paenurk, Stefan Feusi, and Renana Gershoni-Poranne*
The Journal of Chemical Physics, January 2021
Invited contribution for the Issue Honoring Women in Physical Chemistry and Chemical Physics