Kierownik
dr Cina Foroutan-Nejad

Asystenci
dr Zahra Badri

Publikacje

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.

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.

My research interest includes four main 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