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Chemistry

D-Index
51
Citations
11314
World Ranking
13824
National Ranking
375

Overview

Gino A. DiLabio is affiliated with the University of British Columbia in Canada. Their research contributions span fields including Chemistry and Materials Science, with a primary focus on Organic Chemistry, Materials Chemistry, Atomic and Molecular Physics and Optics, Physical and Theoretical Chemistry, and Computational Theory and Mathematics.

The scientist's work addresses a variety of topics such as Machine Learning in Materials Science, Advanced Chemical Physics Studies, Free Radicals and Antioxidants, Computational Drug Discovery Methods, Spectroscopy and Quantum Chemical Studies, Radical Photochemical Reactions, and Oxidative Organic Chemistry Reactions.

Frequent publication venues for their work include the Journal of Chemical Theory and Computation, Chemical Science, Journal of the American Chemical Society, The Journal of Physical Chemistry A, and The Journal of Organic Chemistry.

Key recent papers include:

  • Structure-function relationships in aryl diazirines reveal optimal design features to maximize C-H insertion, 2021, Chemical Science
  • Electrochemical PINOylation of Methylarenes: Improving the Scope and Utility of Benzylic Oxidation through Mediated Electrolysis, 2022, Journal of the American Chemical Society
  • Bimodal Evans-Polanyi Relationships in Hydrogen Atom Transfer from C(sp 3 )-H Bonds to the Cumyloxyl Radical. A Combined Time-Resolved Kinetic and Computational Study, 2021, Journal of the American Chemical Society
  • BH9, a New Comprehensive Benchmark Data Set for Barrier Heights and Reaction Energies: Assessment of Density Functional Approximations and Basis Set Incompleteness Potentials, 2021, Journal of Chemical Theory and Computation
  • Antioxidant activity of highly hydroxylated fullerene C60 and its interactions with the analogue of α-tocopherol, 2020, Free Radical Biology and Medicine

Frequent co-authors collaborating with Gino A. DiLabio include:

  • Alberto Otero-de-la-Roza
  • Viki Kumar Prasad
  • Jeremy E. Wulff
  • Zhipeng Pei
  • Stefania F. Musolino

Best Publications

  • Predicting the activity of phenolic antioxidants: theoretical method, analysis of substituent effects, and application to major families of antioxidants.

    James S. Wright;Erin R. Johnson;Gino A. DiLabio

  • Dispersion interactions in density-functional theory

    Erin R. Johnson;Iain D. Mackie;Gino A. DiLabio

  • Field regulation of single-molecule conductivity by a charged surface atom

    Paul G. Piva;Gino A. DiLabio;Jason L. Pitters;Janik Zikovsky

  • Theoretical Study of X−H Bond Energetics (X = C, N, O, S): Application to Substituent Effects, Gas Phase Acidities, and Redox Potentials

    G. A. DiLabio;D. A. Pratt;and A. D. LoFaro;J. S. Wright

  • Application of 25 density functionals to dispersion-bound homomolecular dimers

    Erin R. Johnson;Robert A. Wolkow;Robert A. Wolkow;Gino A. DiLabio

  • Controlled coupling and occupation of silicon atomic quantum dots at room temperature.

    M. Baseer Haider;Jason L. Pitters;Gino A. DiLabio;Lucian Livadaru

  • Critical re-evaluation of the O-H bond dissociation enthalpy in phenol.

    Peter Mulder;Hans-Gert Korth;Derek A Pratt;Gino A DiLabio

  • Lone Pair−π and π−π Interactions Play an Important Role in Proton-Coupled Electron Transfer Reactions

    Gino A DiLabio;Erin R Johnson

  • Reaction of phenols with the 2,2-diphenyl-1-picrylhydrazyl radical. Kinetics and DFT calculations applied to determine ArO-H bond dissociation enthalpies and reaction mechanism.

    Mario C. Foti;Carmelo Daquino;Iain D. Mackie;Gino A. DiLabio

  • 5-Pyrimidinols: novel chain-breaking antioxidants more effective than phenols.

    Derek A. Pratt;Gino A. DiLabio;Giovanni Brigati;Gian Franco Pedulli

  • Simple one-electron quantum capping potentials for use in hybrid QM/MM studies of biological molecules

    Gino A. DiLabio;Margaret M. Hurley;Phillip A. Christiansen

  • Oscillations in meta-generalized-gradient approximation potential energy surfaces for dispersion-bound complexes.

    Erin R. Johnson;Axel D. Becke;C. David Sherrill;Gino A. DiLabio

  • A (Nearly) Universally Applicable Method for Modeling Noncovalent Interactions Using B3LYP.

    Edmanuel Torres;Gino A. DiLabio;Gino A. DiLabio

  • 6-Amino-3-Pyridinols: Towards Diffusion-Controlled Chain-Breaking Antioxidants

    Maikel Wijtmans;Derek A. Pratt;Luca Valgimigli;Gino A. DiLabio

  • Structure and binding energies in van der Waals dimers: Comparison between density functional theory and correlated ab initio methods

    Erin R. Johnson;Gino A. DiLabio

  • Patterning of Vinylferrocene on H−Si(100) via Self-Directed Growth of Molecular Lines and STM-Induced Decomposition

    Peter Kruse;Erin R. Johnson;Gino A. DiLabio;Robert A. Wolkow

  • Interactions in large, polyaromatic hydrocarbon dimers: application of density functional theory with dispersion corrections.

    Iain D. Mackie;Gino A. DiLabio

  • Density Functional Theory Based Model Calculations for Accurate Bond Dissociation Enthalpies. 3. A Single Approach for X−H, X−X, and X−Y (X, Y = C, N, O, S, Halogen) Bonds

    Erin R. Johnson;Owen J. Clarkin;Gino A. Dilabio

  • Performance of conventional and dispersion-corrected density-functional theory methods for hydrogen bonding interaction energies

    Gino A. DiLabio;Erin R. Johnson;Alberto Otero-de-la-Roza

  • The unusual reaction of semiquinone radicals with molecular oxygen

    Luca Valgimigli;Riccardo Amorati;Maria Grazia Fumo;Gino A. DiLabio

  • Bond Strengths of Toluenes, Anilines, and Phenols: To Hammett or Not

    Derek A. Pratt;Gino A. Dilabio;Peter Mulder;K. U. Ingold

Frequent Co-Authors

Robert A. Wolkow
Robert A. Wolkow University of Alberta
Erin R. Johnson
Erin R. Johnson Dalhousie University
Derek A. Pratt
Derek A. Pratt University of Ottawa
Luca Valgimigli
Luca Valgimigli University of Bologna
Keith U. Ingold
Keith U. Ingold National Research Council Canada
Barry C. Sanders
Barry C. Sanders University of Calgary
Gian Franco Pedulli
Gian Franco Pedulli University of Bologna
Darrin S. Richeson
Darrin S. Richeson University of Ottawa
John C. Walton
John C. Walton University of St Andrews
Abbas S. Milani
Abbas S. Milani University of British Columbia

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