Gino DiLabio

32PUBLICATIONS
50CO-AUTHORS
Theoretical quantum chemistryBiologically active moleculesElectrochemistryCondensed matter modelling and density functional theoryReaction kinetics and dynamics
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Publications (32)

|Oct 23, 2026
Achieving Near-Chemical Accuracy with Atom-Centered Potential-Augmented M06-2X.

|Mar 17, 2026
Structure-Dependent Antioxidant Activity of Ibogalogs: Impact of Methoxy Group Position on the Protective Activity in Model and Synaptosomal Lipid Membranes.

Paulina Kazmierska-Grebowska, Jacek Grebowski, Michał Żebrowski

|Mar 06, 2026
Blue Shift in Electrochromic Dye Emission Indicates Distinct Electrostatic Environment at Air-Water Interfaces.

Alessandra Mandala Kol, Teddy Herriman, Wendy C Salmon

|Jan 09, 2026
Weak Noncovalent Interactions in Nonequilibrium Structures: How Good Are the Dispersion Corrections?

Lorenzo Briccolani-Bandini, Bhavesh Gnnanapareddy, Frédéric Labat

|Sep 15, 2025
Solvent Effects on C-H Abstraction by Hydroperoxyl Radicals: Implication for Antioxidant Strategies.

Andrea Baschieri, Zongxin Jin, Greta Tödtmann

|Jul 31, 2025
Constructing Accurate Potential Energy Surfaces with Limited High-Level Data Using Atom-Centered Potentials and Density Functional Theory.

Mahsa Nazemi-Ashani, Alberto Otero-de-la-Roza, Gino A DiLabio

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Frequent Collaborators

6 joint publications

Alberto Otero-de-la-Roza

6 joint publications

Viki Kumar Prasad

4 joint publications

Alberto Otero-de-la-Roza

3 joint publications

Massimo Bietti