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The Journal of Physical Chemistry. B|February 14, 2006
Linear nanostructure formation of aldehydes by self-directed growth on hydrogen-terminated silicon(100)Jason L Pitters, Iana Dogel, Gino A DiLabio, et al.Journal of Chemical Theory and Computation|July 31, 2025
Constructing Accurate Potential Energy Surfaces with Limited High-Level Data Using Atom-Centered Potentials and Density Functional TheoryMahsa Nazemi-Ashani, Alberto Otero-de-la-Roza, Gino A DiLabioFree Radical Biology & Medicine|September 2, 2020
Antioxidant activity of highly hydroxylated fullerene C60 and its interactions with the analogue of α-tocopherolJacek Grebowski, Adrian Konopko, Anita Krokosz, et al.The Journal of Organic Chemistry|May 3, 2014
Importance of π-stacking interactions in the hydrogen atom transfer reactions from activated phenols to short-lived N-oxyl radicalsMarco Mazzonna, Massimo Bietti, Gino A DiLabio, et al.Journal of Chemical Theory and Computation|April 12, 2022
Small-Basis Set Density-Functional Theory Methods Corrected with Atom-Centered PotentialsViki Kumar Prasad, Alberto Otero-de-la-Roza, Gino A DiLabioOrganic Letters|August 18, 2011
Kinetics of the oxidation of quercetin by 2,2-diphenyl-1-picrylhydrazyl (dpph•)Mario C Foti, Carmelo Daquino, Gino A DiLabio, et al.Scientific Data|January 23, 2019
PEPCONF, a diverse data set of peptide conformational energiesViki Kumar Prasad, Alberto Otero-de-la-Roza, Gino A DiLabioPhysical Chemistry Chemical Physics : PCCP|June 28, 2013
Performance of conventional and dispersion-corrected density-functional theory methods for hydrogen bonding interaction energiesGino A DiLabio, Erin R Johnson, Alberto Otero-de-la-RozaJournal of Chemical Theory and Computation|August 12, 2017
Accurate Modeling of Water Clusters with Density-Functional Theory Using Atom-Centered PotentialsJake D Holmes, Alberto Otero-de-la-Roza, Gino A DiLabioJournal of Chemical Theory and Computation|June 1, 2016
Exchange-Correlation Effects for Noncovalent Interactions in Density Functional TheoryA Otero-de-la-Roza, Gino A DiLabio, Erin R JohnsonPageof 11