Head of the group
Assoc. Prof. Cina Foroutan-Nejad

dr Emran Masoumifeshani
dr Mahdi Sasar

PhD Students
M.Sc. Minu Sheeja
M.Sc. Muhammad Yasir Mehboob

NCN OPUS 2020/39/B/ST4/02022
“Design of Functional Organic Memristors (DOOM)”


Z. Badri, C. Foroutan-Nejad “On the aromaticity of actinide compoundsNat Rev Chem

Z. Badri, Foroutan-Nejad, „Classical versus Collective Interactions in Asymmetric Trigonal Bipyramidal Alkaline Metal‒Boron Halide Complexes”Chem. Eur. J.

Z. Badri, F. Nouri, C. Foroutan-Nejad, „Tetraquinolines; Four Linked Quinoline Units or Porphyrinoids”, Org. Biomol. Chem.

T. Knoell, J. Polanco, S. N. MacMillan, J. A. Bertke, C. Foroutan-Nejad, K. M. Lancaster, A. ‘Gus’ Bakhoda, „Alkaline earth metal-assisted dinitrogen activation at nickel”, Dalton Trans.

R. Pino-Rios, R. Báez-Grez,  C. Foroutan-Nejad, „Anti-electrostatic Cation π-Hole and Cation lp-Hole Interactions Are Stabilized via Collective Interactions”, Chem. Commun.

P. Gaweł, C. Foroutan-Nejad, „Carbon rings push limits of chemical theories”, Nature

C. Foroutan-Nejad, „Magnetic Antiaromaticity─Paratropicity─Does Not Necessarily Imply Instability”, J. Org. Chem.

V. Šadek, S. Sowlati-Hashjin, S. Abdolreza Sadjadi, M. Karttunen, A. Martín-Pendás, C. Foroutan-Nejad, “Reply to: On the existence of collective interactions reinforcing the metal-ligand bond in organometallic compounds”, Nature Communications

A. Jaroš, M. Sasar, L. Tučková, E. Farajpour Bonab, Z. Badri, M. Straka, C. Foroutan-Nejad, „Spinristor: A Spin-Filtering Memristor”, Adv. Electron. Mater.

L. Tučková, A. Jaroš, C. Foroutan-Nejad, M. Straka, „A quest for ideal electric field-driven MX@C70 endohedral fullerene memristors: which MX fits the best?”, Phys. Chem. Chem. Phys.

G. Merino, M. Solà, I. Fernández, C. Foroutan-Nejad, P. Lazzeretti, G. Frenking, H. L. Anderson, D. Sundholm, F. P. Cossío, M. A. Petrukhina, J. Wu, J. I. Wu, A. Restrepo, „Aromaticity: Quo Vadis”, Chem. Sci.

B. J. R. Cuyacot, Z. Badri, A. Ghosh, C. Foroutan-Nejad, „Metallaaromaticity – a protean world”, Phys. Chem. Chem. Phys.

T. Li, E. M. Dief, Z. Kaluzňá, M. MacGregor, C. Foroutan-Nejad, N. Darwish, „On-Surface Azide–Alkyne Cycloaddition Reaction: Does It Click with Ruthenium Catalysts?”, Langmuir

C. S. Day, S. J. Ton, R. T. McGuire, C. Foroutan-Nejad, R. Martin, „Reductive Elimination from Sterically Encumbered Ni–Polypyridine Complexes”, Organometallics

C. S. Day, C. Dat Do, C. Odena, J. Benet-Buchholz, L. Xu, C. Foroutan-Nejad, K. H. Hopmann, R. Martin, „Room-Temperature-Stable Magnesium Electride via Ni(II) Reduction”, J. Am. Chem. Soc.

J. Poater, D.M. Andrada, M. Solà, C. Foroutan-Nejad, „Path-dependency of energy decomposition analysis & the elusive nature of bonding”, Phys. Chem. Chem. Phys.

S. Sowlati-Hashjin, V. Šadek, S. A. Sadjadi, M. Karttunen, A. Martín-Pendás, C. Foroutan-Nejad, „Collective interactions among organometallics areexotic bonds hidden on lab shelves”, Nat. Commun.

B. J. R. Cuyacot, C. Foroutan-Nejad, „[{Th(C8H8)Cl2}3]2− is stable but not aromatic”, Nature

B. J. R. Cuyacot, I. Durník, C. Foroutan-Nejad, R. Marek, “Anatomy of Base Pairing in DNA by Interacting Quantum Atoms”, J. Chem. Inf. Model.

C. Foroutan-Nejad, “A double bond with weak σ- and strong π-interactions is still a double bond”, Nat. Commun.

C. Foroutan-Nejad, „Bonding and Aromaticity in Electron-Rich Boron and Aluminum Clusters”, J. Phys. Chem. A

A. Jaroš, E. F. Bonab, M. Straka, C. Foroutan-Nejad, “Fullerene-Based Switching Molecular Diodes Controlled by Oriented External Electric Fields”, J. Am. Chem. Soc.

J. Vícha, C. Foroutan-Nejad, M. Straka, “1H NMR is not a proof of hydrogen bonds in transition metal complexes”, Nat. Commun.

C. Foroutan‐Nejad, M. Straka, I. Fernández, G. Frenking, “Buckyball Difluoride F2−@C60+—A Single-Molecule Crystal”, Angew. Chem. Int. Ed.

C. Foroutan-Nejad, Z. Badri, R. Marek, “Multi-center covalency: revisiting the nature of anion–π interactions”, Phys. Chem. Chem. Phys.

J. Vícha, C. Foroutan-Nejad, T. Pawlak, M. L. Munzarová, M. Straka, R. Marek, “Understanding the Electronic Factors Responsible for Ligand Spin–Orbit NMR Shielding in Transition-Metal Complexes”, J. Chem. Theory Comput.

C. Foroutan-Nejad, “Is NICS a reliable aromaticity index for transition metal clusters?” Theor. Chem. Acc.

Research topics

  • Design of molecular devices for molecular electronics; molecular memristors for in-memory processing
  • Application of quantum chemical topology methods to assess the nature of chemical bonds and reactivity
  • Theoretical studies on smart catalysis under external electric fields