| Microwave-assisted synthesis of nano Hf-and Zr-based metal-organic frameworks for enhancement of curcumin adsorption YT Dang, HT Hoang, HC Dong, KBT Bui, LHT Nguyen, TB Phan, ... Microporous and Mesoporous Materials 298, 110064, 2020 | 125 | 2020 |
| Monitoring mechanical, electronic, and catalytic trends in a titanium metal organic framework under the influence of guest-molecule encapsulation using density functional theory HC Dong, HL Nguyen, HM Le, N Thoai, Y Kawazoe, D Nguyen-Manh Scientific Reports 8 (1), 16651, 2018 | 14 | 2018 |
| Mechanism of proton transport in water clusters and the effect of electric fields: A DFT study NH Vu, HC Dong, MV Nguyen, D Hoang, TT Trinh, TB Phan Current Applied Physics 25, 62-69, 2021 | 10 | 2021 |
| An excellent photodegradation efficiency of methylene blue and rhodamine B dyes in a series of porphyrinic Aluminum-based MOFs metallated by copper and cobalt metals DT Nguyen, HN Nguyen, TM Nguyen, HC Dong, NN Dang, QH Tran, ... Colloids and Surfaces A: Physicochemical and Engineering Aspects 689, 133663, 2024 | 5 | 2024 |
| A proton transfer mechanism along the PO 4 anion chain in the [Zn (HPO 4)(H 2 PO 4)] 2− coordination polymer HC Dong, HT Hoang, DM Tran, TB Phan, S Bureekaew, Y Kawazoe, ... Physical Chemistry Chemical Physics 21 (34), 18605-18611, 2019 | 4 | 2019 |
| Effect of Elasticity of the MoS2 Surface on Li Atom Bouncing and Migration: Mechanism from Ab Initio Molecular Dynamic Investigations TH Ho, HC Dong, Y Kawazoe, HM Le The Journal of Physical Chemistry C 121 (2), 1329-1338, 2017 | 3 | 2017 |
| The electronic structures and magnetic properties of mixed-valence Fe-based metal–organic VNU-15 frameworks: a theoretical study from linear response DFT+ U calculations DTX Dang, HC Dong, Y Kawazoe, JL Kuo, D Nguyen-Manh RSC advances 10 (57), 34690-34701, 2020 | 2 | 2020 |
| Reaction probability and kinetics of water splitting on the penta-NiAs 2 monolayer from an ab initio molecular dynamics investigation TH Ho, HC Dong, VQ Bui, Y Kawazoe, HM Le Physical Chemistry Chemical Physics 22 (32), 18149-18154, 2020 | 2 | 2020 |
| Searching low-energy conformers of neutral and protonated di-, tri-, and tetra-glycine using first-principles accuracy assisted by the use of neural network potentials HC Dong, PJ Hsu, JL Kuo Physical Chemistry Chemical Physics 26 (14), 11126-11139, 2024 | 1 | 2024 |
| Induced Magnetism of the MoS2 Monolayer during the Transition Metal (Fe/Ni) Bombardment Process: A Nonadiabatic Ab Initio Collision Dynamics Investigation TH Ho, HT Hoang, HC Dong, Y Kawazoe, HM Le ACS omega 5 (26), 16139-16148, 2020 | 1 | 2020 |
