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Hanwei Li

Double Hybrids and Noncovalent Interactions: How Far Can We Go?
2022 · Eric Brémond, Hanwei Li, et al. · The Journal of Physical Chemistry A · 25
Modeling Multi-Step Organic Reactions: Can Density Functional Theory Deliver Misleading Chemistry?
2024 · Hanwei Li, Maryam Mansoori Kermani, et al. · Journal of the American Chemical Society · 22
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Tackling an accurate description of molecular reactivity with double-hybrid density functionals
2022 · Éric Brémond, Hanwei Li, et al. · The Journal of Chemical Physics · 18
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Beyond Chemical Accuracy for Alkane Thermochemistry: The DHthermo Approach
2021 · Hanwei Li, Bernardino Tirri, et al. · The Journal of Organic Chemistry · 13
Pairing double hybrid functionals with a tailored basis set for an accurate thermochemistry of hydrocarbons
2021 · Hanwei Li, Eric Brémond, et al. · RSC Advances · 9
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Barrier Heights for Diels–Alder Transition States Leading to Pentacyclic Adducts: A Benchmark Study of Crowded, Strained Transition States of Large Molecules
2023 · Maryam Mansoori Kermani, Hanwei Li, et al. · The Journal of Physical Chemistry Letters · 8
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Axial–equatorial equilibrium in substituted cyclohexanes: a DFT perspective on a small but complex problem
2024 · Hanwei Li, Eric Brémond, et al. · Physical Chemistry Chemical Physics · 6
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Evaluating Noncovalent Interactions in Halogenated Molecules with Double-Hybrid Functionals and a Dedicated Small Basis Set
2024 · Hanwei Li, Lorenzo Briccolani-Bandini, et al. · The Journal of Physical Chemistry A · 4
Density Functional Analysis of Noncovalent 2- and 3-Body Interactions in Trimolecular Clusters
2026 · Davide Massafra, Hanwei Li, et al. · The Journal of Physical Chemistry A
Modélisation des interactions non covalentes avec des fonctionnelles non empiriques
2022 · Hanwei Li
Works count: 10
Citation count: 105
H-index: 6
I10-index: 4
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