Giacomo Saielli

26PUBLICATIONS
34CO-AUTHORS
Nonlinear optics and spectroscopyStructural properties of condensed matterTheoretical quantum chemistryPhysical properties of materialsComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)
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Publications (26)

|May 27, 2026
Relativistic DFT-NMR of 19F in tantalum(V) and niobium(V) fluorohalides.

|Mar 10, 2026
From Covalent Systems to Bulk Phases: Addressing Structural Complexity with Computational NMR.

Giacomo Saielli

|Oct 31, 2025
Towards quantitative prediction of proton chemical shifts in imidazolium chloride ionic liquids by computational NMR.

Ruijian Zhu, Tianying Yan, Yanting Wang

|Sep 19, 2025
129Xe Nuclear Magnetic Resonance in Polymeric Membranes: A Computational Study of the Effect of Pore Size and Void Distribution on the Xenon Chemical Shift.

Valerio Mazzilli, Carmen Rizzuto, Elena Tocci

|Jul 10, 2025
Molecular dynamics simulations of discotic ionic liquid crystals: comparison of a full-charge and a scaled-charge force field.

Valerio Mazzilli, Giacomo Saielli

|Jun 18, 2025
Predicting the NMR chemical shifts of hydrides in SABRE-active Ir complexes by relativistic DFT.

Beatrice Bernadette Mascitti, Giordano Zanoni, Federico de Biasi

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Frequent Collaborators

6 joint publications

Yanting Wang

4 joint publications

Valerio Mazzilli

2 joint publications

Andrea Mele

2 joint publications

Roberto Simonutti