| Multi‐Species Multi‐Channel (MSMC): An Ab Initio‐based Parallel Thermodynamic and Kinetic Code for Complex Chemical Systems MV Duong, HT Nguyen, N Truong, TNM Le, LK Huynh International Journal of Chemical Kinetics 47 (9), 564-575, 2015 | 64 | 2015 |
| Effects of structure and size of Ni nanocatalysts on hydrogen selectivity via water-gas-shift reaction—A first-principles-based kinetic study M Zhou, TNM Le, LK Huynh, B Liu Catalysis Today 280, 210-219, 2017 | 28 | 2017 |
| SurfKin: An ab initio kinetic code for modeling surface reactions TNM Le, B Liu, LK Huynh Journal of Computational Chemistry 35 (26), 1890-1899, 2014 | 26 | 2014 |
| Hydrogen adsorption mechanism of MOF-74 metal–organic frameworks: an insight from first principles calculations T Nguyen-Thuy, P Le-Hoang, NH Vu, TNM Le, TLH Doan, JL Kuo, ... RSC advances 10 (72), 43940-43949, 2020 | 13 | 2020 |
| Coupling Amorphous Ni Hydroxide Nanoparticles with Single-Atom Rh on Cu Nanowire Arrays for Highly Efficient Alkaline Seawater Electrolysis NQ Tran, BTN Le, TNM Le, LT Duy, TB Phan, Y Hong, TK Truong, ... The Journal of Physical Chemistry Letters 13 (34), 8192-8199, 2022 | 11 | 2022 |
| From the perspectives of DFT calculations, thermodynamic modeling, and kinetic Monte Carlo simulations: the interaction between hydrogen and Sc 2 C monolayers TNM Le, C Chiu, JL Kuo Physical Chemistry Chemical Physics 22 (8), 4387-4401, 2020 | 8 | 2020 |
| DFT Study on the H2 Storage Properties of Sc-Decorated Covalent Organic Frameworks Based on Adamantane Units A Deshmukh, TNM Le, C Chiu, JL Kuo The Journal of Physical Chemistry C 122 (29), 16853-16865, 2018 | 8 | 2018 |
| Promoting High-Oxidation-State Metal Active Sites in a Hollow Ternary Metal Fluoride Nanoflake Array for Urea Electrolysis NT Nguyen, TTN Tran, TK Truong, J Yu, TNM Le, TB Phan, TLH Doan, ... Inorganic Chemistry 62 (26), 10298-10306, 2023 | 7 | 2023 |
| A computational study on the adsorption configurations and reactions of SiHx (x= 1-4) on clean and H-covered Si (100) surfaces TNM Le, P Raghunath, LK Huynh, MC Lin Applied Surface Science 387, 546-556, 2016 | 4 | 2016 |
| H2 physisorption in fluorinated MOF-74: The role of fluorine from the perspective of electronic structure calculations TT Nguyen, TNM Le, TT Nguyen, TB Phan, D Nguyen-Manh International Journal of Hydrogen Energy 48 (24), 8997-9007, 2023 | 3 | 2023 |
| A decomposition mechanism for Mn 2 (DSBDC) metal–organic frameworks in the presence of water molecules TNM Le, C Chiu, JL Kuo Physical Chemistry Chemical Physics 23 (39), 22794-22803, 2021 | 2 | 2021 |
| MOF-Templated Synthesis of Three-Dimensional B-Doped NiCoP Hollow Nanorod Arrays for Highly Efficient and Stable Natural Seawater Splitting CN Nguyen, TTN Tran, TK Truong, TA Le, TNM Le, LHT Nguyen, ... ACS Applied Energy Materials 6 (20), 10713-10722, 2023 | 1 | 2023 |
| Insight into the direct conversion of methane to methanol on modified ZIF-204 from the perspective of DFT-based calculations TNM Le, TBN Le, PT Nguyen, TT Nguyen, QN Tran, Y Kawazoe, TB Phan, ... RSC advances 13 (23), 15926-15933, 2023 | 1 | 2023 |
| Thermodynamic and kinetic investigation on the selectivity of water-gas shift reaction on Ni catalyst M Zhou, B Liu, T Le, L Huynh ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016 | | 2016 |
| DFT study on site-dependent selectivity of water-gas shift reaction on nanoscale Ni catalysts B Liu, M Zhou, TNM Le, L Huyhn ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 250, 2015 | | 2015 |
| Functionalized Zr-MOF as an Efficient Adsorbent for Indole Removal: The Experimental and First-Principles Modeling TNM Le, TN Ha, HT Hoang, NK Pham, Y Kawazoe, D Nguyen-Manh, ... Available at SSRN 4167183, 0 | | |
