M
Minh Tho Nguyen
Researcher at Katholieke Universiteit Leuven
Publications - 772
Citations - 16292
Minh Tho Nguyen is an academic researcher from Katholieke Universiteit Leuven. The author has contributed to research in topics: Ab initio & Density functional theory. The author has an hindex of 55, co-authored 758 publications receiving 14933 citations. Previous affiliations of Minh Tho Nguyen include Catholic University of Leuven & Laboratory of Solid State Physics.
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Carboxyl-functionalized task-specific ionic liquids for solubilizing metal oxides.
Peter Nockemann,Ben Thijs,Tatjana N. Parac-Vogt,Kristof Van Hecke,Luc Van Meervelt,Bernard Tinant,Ingo Hartenbach,Thomas Schleid,Vu Thi Ngan,Minh Tho Nguyen,Koen Binnemans +10 more
TL;DR: The crystal structures of four ionic liquids and five metal complexes have been determined and it was found that it can be attributed to the temperature-dependent hydration and hydrogen-bond formation of the ionic liquid components.
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Protonation and Deprotonation Enthalpies of Guanine and Adenine and Implications for the Structure and Energy of Their Complexes with Water: Comparison with Uracil, Thymine, and Cytosine
TL;DR: In this paper, the optimized geometries, harmonic vibrational frequencies, and energies of monohydrated guanine and adenine were computed using density functional theory (B3LYP) combined with the 6-31+G(d,p) basis set.
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Polynitrogen compounds 1. Structure and stability of N4 and N5 systems
TL;DR: In this article, the authors summarized the results concerning the molecular and electronic structure and thermodynamic stability of polynitrogen compounds Nn, with n ranging from 4 to 60, as revealed by quantum chemical calculations published in the past 30 years, and where available, by experimental observations.
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Molecular mechanism for H2 release from BH3NH3, including the catalytic role of the Lewis acid BH3.
TL;DR: Electronic structure calculations using various methods, up to the coupled-cluster CCSD(T) level, in conjunction with the aug-cc-pVnZ basis sets with n = D, T, and Q, extrapolated to the complete basis set limit, show that the borane molecule can act as an efficient bifunctional acid-base catalyst in the H2 elimination reactions of XHnYHn systems.