Stefano Borocci

21PUBLICATIONS
35CO-AUTHORS
Theoretical quantum chemistryCancer therapy (excl. chemotherapy and radiation therapy)Supramolecular chemistryMolecular and organic electronicsNatural products and bioactive compounds
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Publications (21)

|Apr 23, 2026
A Density Functional Theory-Based Investigation of a pH- and Redox-Driven Tristable [2]Rotaxane in CH2Cl2 Dilute Solution.

|Mar 06, 2026
Molecular Dynamics Simulation of Passive Diffusion across a Human Breast Cancer Cell Membrane Model. Comparison between Cisplatin and Its Pt(IV) Derivatives.

Daniele Belletto, Stefano Scoditti, Stefano Borocci

|Nov 18, 2025
A Computational Study of a [2]Rotaxane Molecular Shuttle with All-Atoms Molecular Dynamics and Density Functional Theory Simulations in Solution.

Costantino Zazza, Nico Sanna, Stefano Borocci

|Jul 15, 2025
Assaying the nature of the chemical bond by visualizing and counting the electrons with negative energies.

Stefano Borocci, Felice Grandinetti, Nico Sanna

|Jul 10, 2025
Perspective on Theoretical Modeling of Soft Molecular Machines and Devices: A Fusion of Data-Driven Approaches with Traditional Computational Chemistry Algorithms.

Costantino Zazza, Nico Sanna, Stefano Borocci

|Apr 03, 2025
QTAIM Analysis of a [2]Rotaxane Molecular Shuttle with a 2,2'-Bipyridyl Rigid Core.

Costantino Zazza, Nico Sanna, Stefano Borocci

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Frequent Collaborators

12 joint publications

Felice Grandinetti

12 joint publications

Nico Sanna

10 joint publications

Costantino Zazza

4 joint publications

Giovanni Chillemi