2025
55
Aromaticity Switching by Quantum Tunnelling
Sindy Julieth Rodríguez, Julián Santoyo-Flores, Katarzyna Młodzikowska-Pieńko, Renana Gershoni-Poranne, and Sebastian Kozuch
Chemical Science, October 2025
54
Three Wrongs Can Make a Right: Concealing Antiaromaticity in π-Expanded [4n]–[4n]–[4n] Frameworks
PreprintMuhammad Usama Gul Khan, Katarzyna Młodzikowska-Pieńko, Renana Gershoni-Poranne,* and Judy I. Wu*
October 2025
53
Toward Iron-Catalyzed Alkene Metathesis: Mapping the Reactivity and Deactivation Pathways of an Iron Metallacyclobutane
PreprintKatarzyna Młodzikowska-Pieńko, Jatin Panda, Subhash Garhwal, Alexander Kaushansky, Tobias Krämer, Renana Gershoni-Poranne,* and Graham de Ruiter*
Angewandte Chemie International Edition, September 2025
52
From Rings to Properties: Understanding the Effect of Annelation on Pyrene
PreprintAlexandra Wahab and Renana Gershoni-Poranne*
Journal of Organic Chemistry, August 2025
51
Photoexcited and Ground-State Diradical(oid) Character in a Triquino[3]radialene
Bethany K. Hillier, Damon M. de Clercq, Stephen D. S. Bortolussi, Simona S. Capomolla, Michael P Nielsen, Katarzyna Młodzikowska-Pieńko, Renana Gershoni-Poranne, Timothy W. Schmidt, and Martin D. Peeks*
Chemical Science, May 2025
50
COMPAS-4: A Data Set of (BN)1 Substituted Cata-Condensed Polybenzenoid Hydrocarbons—Data Analysis and Feature Engineering
PreprintSabyasachi Chakraborty, Itay Almog, and Renana Gershoni-Poranne*
Journal of Chemical Information and Modeling, May 2025
49
Metallaaromaticity Reimagined: Metallaaromatic Cobalt Macrocycles Through Metal-Ligand Coordination Chemistry
PreprintSakthi Raje, Katarzyna Młodzikowska-Pieńko, Amnon Stanger, Renana Gershoni-Poranne*, and Graham de Ruiter*
April 2025
48
How Local is 'Local'? Deep Learning Reveals Locality of the Induced Magnetic Field of Polycyclic Aromatic Hydrocarbons
PreprintYair Davidson, Aviad Philipp, Sabyasachi Chakraborty, Alex M. Bronstein*, and Renana Gershoni-Poranne*
Journal of Chemical Physics, April 2025
47
Manganese-Ketenimine Intermediates as Active Catalysts in the Michael Addition of Unactivated Nitriles to α,β-Unsaturated Ketones
Kartick Dey, Akhanda Gorai, Katarzyna Młodzikowska-Pieńko, Natalia Fridman, Idan Avigdori, Renana Gershoni Poranne, and Graham de Ruiter*
Angewandte Chemie International Edition, February 2025
46
Stabilizing Contorted Doubly-Reduced Tetraphenylene with Heavy Alkali Metal Complexation: Crystallographic and Theoretical Evidence
Yikun Zhu, Zheng Zhou, Zheng Wei, Alexandra Tsybizova, Renana Gershoni Poranne*, and Marina A. Petrukhina*
Chemistry - An Asian Journal, January 2025
45
Polybenzenoid Hydrocarbons in the S1 State: Simple Structural Motifs Predict Electronic Properties and (Anti)Aromaticity
PreprintFatimah Khaleel, Sabyasachi Chakraborty, and Renana Gershoni-Poranne*
Journal of Physical Organic Chemistry, January 2025
2024
44
Accelerated Diradical Character Assessment in Large Datasets of Polybenzenoid Hydrocarbons Using xTB Fractional Occupation
PreprintAlexandra Wahab and Renana Gershoni-Poranne*
Physical Chemistry Chemical Physics, November 2024
43
Effects of Benzoheterocyclic Annelation on the s-Indacene Core: a Computational Analysis
Gabrielle I. Warren, Katarzyna Młodzikowska-Pieńko, Said Jalife, Isabella S. Demachkie, Judy I. Wu, Michael M. Haley, and Renana Gershoni-Poranne*
Chemical Science, November 2024
42
N2 Dissociation vs Reversible 1,2-Methyl Migration in PCNHCP Cobalt(I) Complexes in the Stereoselective Isomerization (E/Z) of Allyl Ethers
Sakthi Raje, Subhash Garhwal, Katarzyna Młodzikowska-Pieńko, Tofayel Sheikh Mohammad, Ron Raphaeli, Natalia Fridman, Linda J. W. Shimon, Renana Gershoni-Poranne,* and Graham de Ruiter*
JACS Au, September 2024
41
What a Difference an Electron Makes: Structural Response of Saddle-Shaped Tetraphenylene to One and Two Electron Uptake
Yikun Zhu, Zheng Zhou, Zheng Wei, Alexandra Tsybizova, Renana Gershoni-Poranne,* and Marina A. Petrukhina*
ChemistryEurope, September 2024
40
Hetero-Polycyclic Aromatic Systems: A Data-Driven Investigation of Structure–Property Relationships
PreprintSabyasachi Chakraborty, Eduardo Mayo Yanes, and Renana Gershoni-Poranne*
Beilstein Journal of Organic Chemistry, July 2024
39
COMPAS-3: a Dataset of peri-Condensed Polybenzenoid Hydrocarbons
PreprintAlexandra Wahab and Renana Gershoni-Poranne*
Physical Chemistry Chemical Physics, May 2024
38
COMPAS-2: a Dataset of cata-Condensed Hetero-Polycyclic Aromatic Systems
PreprintEduardo Mayo Yanes, Sabyasachi Chakraborty, and Renana Gershoni-Poranne*
Scientific Data, January 2024
37
Modulating Paratropicity in Heteroarene-Fused Expanded Pentalenes
Said Jalife, Alexandra Tsybizova, Renana Gershoni-Poranne*, and Judy I. Wu*
Organic Letters, January 2024
2023
36
Light-Triggered Enhancement of Fluorescence Efficiency in Organic Cages
Zhenyu Yang, Ramesh Nandi, Anna Orieshyna, Renana Gershoni-Poranne, Shaodong Zhang*, and Nadav Amdursky*
Journal of Physical Chemistry Letters, December 2023
35
Guided diffusion for Inverse Molecular Design
PreprintTomer Weiss, Eduardo Mayo Yanes, Sabyasachi Chakraborty, Luca Cosmo, Alex M. Bronstein*, and Renana Gershoni-Poranne*
Nature Computational Science, October 2023
34
Repercussions of Multi-Electron Uptake by a Twistacene: a Reduction-Induced Double Dehydrogenative Annulation
Matthew Pennachio, Zheng Wei, Robert G. Clevenger, Kathleen V. Kilway, Alexandra Tsybizova, Renana Gershoni-Poranne*, and Marina A. Petrukhina*
Organic Chemistry Frontiers, September 2023
33
A Crowning Achievement: The First Solution-Phase Synthesis of Circumcoronenes
Renana Gershoni-Poranne* and Alexandra Tsybizova
Angewandte Chemie, May 2023
32
Interplay of Charge and Aromaticity Upon Chemical Reduction of p-Quinquephenyl with Alkali Metals
Matthew Pennachio, Zheng Zhou, Zheng Wei, Alexandra Tsybizova, Renana Gershoni-Poranne*, and Marina A. Petrukhina*
Organometallics, February 2023
2022
31
Interpretable Deep-Learning Unveils Structure-Property Relationships in Polybenzenoid Hydrocarbons
PreprintTomer Weiss, Alexandra Wahab, Alex M. Bronstein, and Renana Gershoni-Poranne*
The Journal of Organic Chemistry, December 2022
30
Text-based representations with interpretable machine learning reveal structure–property relationships of polybenzenoid hydrocarbons
PreprintShachar Fite, Alexandra Wahab, Eno Paenurk, Zeev Gross, and Renana Gershoni-Poranne*
The Journal of Physical Organic Chemistry, December 2022
29
The COMPAS Project: A Computational Database of Polycyclic Aromatic Systems. Phase 1: cata-Condensed Polybenzenoid Hydrocarbons
PreprintAlexandra Wahab, Lara Pfuderer, Eno Paenurk, and Renana Gershoni-Poranne*
Journal of Chemical Information and Modeling, July 2022
28
Localized Antiaromaticity Hot-spot Drives Reductive Dehydrogenative Cyclizations in Bis- and Mono-Helicenes
PreprintZheng Zhou, Dominic T. Egger, Chaowei Hu, Matthew Pennachio, Zheng Wei, Rahul K. Kawade, Ökten Üngör, Renana Gershoni-Poranne*, Marina A. Petrukhina*, and Igor V. Alabugin*
Journal of the American Chemical Society, June 2022
27
Simple and Efficient Visualization of Aromaticity: Bond Currents Calculated from NICS Values
Eno Paenurk* and Renana Gershoni-Poranne*
Phys. Chem. Chem. Phys., January 2022
Highlighted in Chemistry World
2021
26
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
25
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
24
Chapter 4: NICS — Nucleus Independent Chemical Shift
PreprintRenana Gershoni-Poranne* and Amnon Stanger*
Aromaticity: Modern Computational Methods and Applications, May 2021
Edited by: Israel Fernandez
Published by: Elsevier
23
Prediction of Spin Density, Baird‐Antiaromaticity, and Singlet‐Triplet Energy Gap in Triplet‐State Polybenzenoid Systems from Simple Structural Motifs
Greta Markert, Eno Paenurk, and Renana Gershoni-Poranne*
Chemistry - A European Journal, January 2021
22
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
21
Peptide–Metal Frameworks with Metal Strings Guided by Dispersion Interactions
Tobias Schnitzer, Eno Paenurk, Nils Trapp, Renana Gershoni-Poranne, and Helma Wennemers
Journal of the American Chemical Society, January 2021
2020
20
Predi-XY: A Python program for automated generation of NICS-XY-Scans based on an Additivity Scheme
Alexandra Wahab, Felix Fleckenstein, Stefan Feusi, and Renana Gershoni-Poranne*
Electronic Structure, December 2020
Invited contribution for the
19
Flat corannulene: when a transition state becomes a stable molecule
Ephrath Solel, Doron Pappo, Ofer Reany, Tom Mejuch, Renana Gershoni-Poranne, Mark Botoshansky, Amnon Stanger, and Ehud Keinan
Chemical Science, October 2020
18
Ring-fused cyclobutanes via cycloisomerization of alkylidenecyclopropane acylsilanes
Sarah Eichenberger, Moritz Hönig, Matthieu J. R. Richter, Renana Gershoni-Poranne*, and Erick M. Carreira*
Chemical Science, May 2020
17
Supramolecular Modulation of Hybrid Perovskite Solar Cells via Bifunctional Halogen Bonding Revealed by Two-Dimensional 19F Solid-State NMR Spectroscopy
Marco A. Ruiz-Preciado, Dominik J. Kubicki, Albert Hofstetter, Lucie McGovern, Moritz H. Futscher, Amita Ummadisingu, Renana Gershoni-Poranne, Shaik M. Zakeeruddin, Bruno Ehrler, Lyndon Emsley, Jovana V. Milić, and Michael Grätzel
Journal of the American Chemical Society, January 2020
2019
16
Negative charge as a lens for concentrating antiaromaticity in twisted polyaromatics: taking advantage of a pentagonal "defect" and helicene strain for reductive annulation
Zheng Zhou, Rahul K. Kawade, Zheng Wei, Febin Kuriakose, Ökten Üngör, Minyoung Jo, Michael Shatruk, Renana Gershoni-Poranne*, Marina A. Petrukhina*, and Igor Alabugin*
Angewandte Chemie, November 2019
15
Mechanistic Studies on the Nickel-Catalyzed Cyclopropanation with Lithiomethyltrimethylammonium Triflate
Stefan A. Künzi, Renana Gershoni-Poranne, and Peter Chen
Organometallics, May 2019
14
An Additivity Scheme for Aromaticity: The Heteroatom Case
Patrick Finkelstein, Renana Gershoni-Poranne*
ChemPhysChem, February 2019
2018
13
Light-Responsive Pyrazine-Based Systems: Probing Aromatic Diarylethene Photocyclization
Jovana V. Milić, Cédric Schaak, Nora Hellou, Florin Isenrich, Renana Gershoni-Poranne, Dmytro Neshchadin, Sylvain Egloff, Nils Trapp, Laurent Ruhlmann, Corinne Boudon, Georg Gescheidt, Jeanne Crassous, and François Diederich
Journal of Physical Chemistry C, August 2018
12
The Predictive Power of Aromaticity: Quantitative Correlation between Aromaticity and Ionization Potentials and HOMO-LUMO Gaps in Oligomers of Benzene, Pyrrole, Furan, and Thiophene
Renana Gershoni-Poranne*, Anuja Rahalkar, and Amnon Stanger*
Physical Chemistry Chemical Physics, May 2018
11
Piecing it Together: An Additivity Scheme for Aromaticity using NICS-XY-Scans
Renana Gershoni-Poranne*
Chemistry - A European Journal, January 2018
2017
10
Reponse to "Covalent Bonding and Charge Shift Bonds: Comment on 'The Carbon–Nitrogen Bonds in Ammonium Compounds Are Charge Shift Bonds'
Peter Chen, and Renana Gershoni-Poranne
Chemistry - A European Journal, December 2017
9
Trends in Metallophilic Bonding in Pd–Zn and Pd–Cu Complexes
Eno Paenurk, Renana Gershoni-Poranne, and Peter Chen
Organometallics, December 2017
8
The Carbon–Nitrogen Bonds in Ammonium Compounds Are Charge Shift Bonds
Renana Gershoni-Poranne, and Peter Chen
Chemistry - A European Journal, March 2017
2015
7
Magnetic Criteria of Aromaticity
Renana Gershoni-Poranne, Amnon Stanger
Chemical Society Reviews, June 2015
2014
6
Tetraazaacenes Containing Four-Membered Rings in Different Oxidation States. Are They Aromatic? A Computational Study
Manuel Schaffroth, Renana Gershoni-Poranne, Amnon Stanger, and Uwe H. F. Bunz
The Journal of Organic Chemistry, November 2014
5
The NICS-XY-Scan: Identification of Local and Global Ring Currents in Multi-Ring Systems
Renana Gershoni-Poranne and Amnon Stanger
Chemistry - A European Journal, March 2014
2013
4
Concurrence between Current Density, Nucleus-Independent Chemical Shifts, and Aromatic Stabilization Energy: The Case of Isomeric [4]- and [5]Phenylenes
Renana Gershoni-Poranne, Christopher M. Gibson, Patrick W. Fowler, and Amnon Stanger
The Journal of Organic Chemistry, July 2013
2012
3
An MO-Based Identification of Charge-Shift Bonds
Renana Gershoni-Poranne, Amnon Stanger
ChemPhysChem, June 2012
2011
2
Evidence for Fully Conjugated Double-Stranded Cycles
Malte Standera, Rolf Häfliger, Renana Gershoni-Poranne, Amnon Stanger, Gunnar Jeschke, Jacco D. van Beek, Louis Bertschi, and A. Dieter Schlüter
Chemistry - A European Journal, September 2011
2009
1
Corannulene Ethers via Ullmann Condensation
Renana Gershoni-Poranne, Doron Pappo, Ephrath Solel, and Ehud Keinan
Organic Letters, October 2009