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Minh Tho Nguyen

Chair Professor of Chemistry

KU Leuven

Belgium

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About

Minh Tho Nguyen is the Chair Professor of Chemistry at KU Leuven, Belgium. His research focuses on theoretical and computational chemistry, particularly in the areas of boron clusters, materials for energy storage, and inhibitors for acetylcholinesterase. Recent publications include studies on the oxidation of benzene by manganese oxide clusters and the theoretical screening of phytochemical constituents from Millettia brandisiana . He is also exploring the potential of boron-doped scandium clusters and the use of deep learning for predicting molecular energies.

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Minh Tho Nguyen

Research Interests

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About

Articles (20)

A reinvestigation of the boron cluster B<sub>15</sub><SUP>+/0/-</SUP>: a benchmark of density functionals and consideration of aromaticity models

A theoretical screening of phytochemical constituents from <i>Millettia brandisiana</i> as inhibitors against acetylcholinesterase

A theoretical study of the Li5B3Six(BH)3-x isolobal systems with x=0-3: Remarkable materials for H2 adsorption

A theoretical study of the oxidation of benzene by manganese oxide clusters: formation of quinone intermediates

A topological path to the formation of a quasi-planar B<sub>70</sub> boron cluster and its dianion (Apr, 10.1039/D2CP05452C, 2023)

Assessing the feasibility of Na6MgCl8 as a material for all-solid-state sodium ion batteries: A theoretical approach

Boron-doped scandium clusters B@Sc<sub><i>n</i>-1</sub><SUP>-/0/+</SUP> with <i>n</i>=2-13: uncovering the smallest endohedrally doped cages

Deep Learning of Electron Density for Predicting Energies: The Case of Boron Clusters

Design and Synthesis of Novel β-Carboline-Bisindole Hybrids as Potential Anticancer Agents

Electric field enhances the electronic and diffusion properties of penta-graphene nanoribbon anodes in lithium-ion batteries

The Au<sub>12</sub> Gold Cluster: Preference for a Non-Planar Structure

The Au-12 Gold Cluster: Preference for a Non-Planar Structure

Boron Silicon B2Si3q and B3Si2p Clusters: The Smallest Aromatic Ribbons

Complex impedance formalism: An alternative approach for exploration of relaxation dynamics in conductive materials

Evolution of Vibrational Spectra in the Manganese-Silicon Clusters Mn2Sin, n=10, 12, and 13, and Cationic [Mn2Si13](+)

First-row transition metal doped germanium clusters Ge16M: some remarkable superhalogens

Formation of the quasi-planar B-56 boron cluster: topological path from B-12 and disk aromaticity

Growth pattern of doubly metal doped silicon clusters M(2)Sin with M-2 = Mo-2, Nb-2, Ta-2, W-2, NbMo, TaW and n=11-18. Formation of fused cages M2Si18

Pristine and alkali and alkaline earth metals encapsulated B36N36 nanoclusters as prospective delivery agents and detectors for 5-fluorouracil anticancer drug

Strontium stannate as an alternative anode for Na- and K-Ion batteries: A theoretical study

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