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Gino DiLabio

Professor and Dean

University of British Columbia Okanagan

Canada

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Research Interests

Physical Chemistry

50%

Materials Chemistry

50%

Electronic Structure

50%

Molecular Physics

40%

Computational Chemistry

30%

First-principles Calculation

30%

Organometallic Chemistry

20%

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Articles18

Solvent Effects on C–H Abstraction by Hydroperoxyl Radicals: Implication for Antioxidant Strategies

Article Link

Year:

2025

Constructing Accurate Potential Energy Surfaces with Limited High-Level Data Using Atom-Centered Potentials and Density Functional Theory

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Year:

2025

Noncovalent Interactions Dictate Surface Chemical Functionalization of Carbon Nitrides with Demonstration from Methylation

Article Link

Year:

2025

Quantum Coulombic Interactions Mediate Free Radical Control in Radical SAM Viperin/RSAD2

Article Link

Year:

2025

Hydrogen Atom Transfer-Based C(sp3)–H Bond Oxygenation of Lactams and Cycloalkenes: The Influence of Ring Size on Reactivity and Site Selectivity

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Year:

2025

Synthesis of a Palladium Dimer Supported by a C-Bound Trifluoroacetonate Bridge Formed by Cleavage of a Hexafluoroacetylacetonate Ligand

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Year:

2024

Bridging the gap between high-level quantum chemical methods and deep learning models

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Year:

2024

Non-Aufbau electronic structure in radical enzymes and control of the highly reactive intermediates

Article Link

Year:

2024

Accurate Potential Energy Surfaces Using Atom-Centered Potentials and Minimal High-Level Data

Article Link

Year:

2023

A Single-Atom Upgrade to Polydicyclopentadiene

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Year:

2023

Minimal Basis Set Hartree–Fock Corrected with Atom-Centered Potentials for Molecular Crystal Modeling and Crystal Structure Prediction

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Year:

2022

Electrochemical PINOylation of Methylarenes: Improving the Scope and Utility of Benzylic Oxidation through Mediated Electrolysis

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Year:

2022

Correction to “BH9, a New Comprehensive Benchmark Data Set for Barrier Heights and Reaction Energies: Assessment of Density Functional Approximations and Basis Set Incompleteness Potentials”

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Year:

2022

Small-Basis Set Density-Functional Theory Methods Corrected with Atom-Centered Potentials

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Year:

2022

Are we failing female and racialized academics? A Canadian national survey examining the impacts of the COVID‐19 pandemic on tenure and tenure‐track faculty

Article Link

Year:

2022

Fast and Accurate Quantum Mechanical Modeling of Large Molecular Systems Using Small Basis Set Hartree–Fock Methods Corrected with Atom-Centered Potentials

Article Link

Year:

2022

BH9, a New Comprehensive Benchmark Data Set for Barrier Heights and Reaction Energies: Assessment of Density Functional Approximations and Basis Set Incompleteness Potentials

Article Link

Year:

2022

BSE49, a diverse, high-quality benchmark dataset of separation energies of chemical bonds

Article Link

Year:

2021

Collaborators7

Antoine Aerts

Postdoc/Lecturer

Université libre de Bruxelles

BELGIUM

Alberto Otero-de-la-Roza

University of Oviedo

SPAIN

VIKI KUMAR PRASAD

Assistant Professor

University of Calgary

CANADA

Wei-Yuan Chen

University of Akron

UNITED STATES

Jennifer Davis

Asociate Professor

The University of British Columbia

CANADA

Jeremy Wulff

Professor

University of Victoria

CANADA

Alex Brown

Professor

University of Alberta

CANADA

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