selected publications
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article
- Relative Populations and IR Spectra of Cu38 Cluster at Finite Temperature Based on DFT and Statistical Thermodynamics Calculations. Frontiers in Chemistry. 10:-. 2022-01-01
- Serum zinc levels are associated with obesity and low-density lipoprotein cholesterol in Mexican adults. Journal of Trace Elements in Medicine and Biology. 73:-. 2022-01-01
- Structural and electronic properties for Be-doped Ptn (n = 1-12) clusters obtained by DFT calculations. Physical Chemistry Chemical Physics. 24:7856-7861. 2022-01-01
- Exploring the Size-Dependent Hydrogen Storage Property on Ti-Doped Bn Clusters by Diatomic Deposition: Temperature Controlled H2 Release. Advanced Theory and Simulations. 4:-. 2021-01-01
- On the structure and reactivity of PtnCun(n= 1-7) alloy clusters. Physical Chemistry Chemical Physics. 23:7233-7239. 2021-01-01
- Structural Evolution and Electronic Properties of Intermediate Sized Tin (n=33--60) Clusters. Advanced Theory and Simulations. 4:-. 2021-01-01
- Systematic cluster growth: a structure search method for transition metal clusters. Physical Chemistry Chemical Physics. 23:4935-4943. 2021-01-01
- On the search of small Cu-Ru atomically precise Superatoms. Cu10Ru cluster as a stable 18-ve endohedral structure. Chemical Physics Letters. 754:-. 2020-01-01
- Structural characterization and electronic properties of Ru-doped Cun (n = 1–12) clusters. Chemical Physics Letters. 754:-. 2020-01-01
- Structural characterization, reactivity, and vibrational properties of silver clusters: A new global minimum for Ag16. Physical Chemistry Chemical Physics. 22:27255-27262. 2020-01-01
- Structural, electronic and catalytic properties of bimetallic PtnAgn (n=1–7) clusters. Journal of Alloys and Compounds. 845:-. 2020-01-01
- Hydrogen Chemisorption on Pd-Doped Copper Clusters. Journal of Physical Chemistry C. -. 2019-01-01
- Structural characterization of Co-doped Pdn (n=1–12) clusters: First-principles calculations. Chemical Physics Letters. 715:141-146. 2019-01-01
- Structure of V-doped Pdn (n = 2–12) clusters and their ability for H2 dissociation. International Journal of Hydrogen Energy. 43:20636-20644. 2018-01-01
- Structures and Electronic Properties of TinV (n = 1-16) Clusters: First-Principles Calculations. Journal of Physical Chemistry A. 120:2401-2407. 2016-01-01
- N2O dissociation on small Rh clusters: A density functional study. Computational Materials Science. 97:32-35. 2015-01-01
- Size and structure effects of PtN (N = 12 - 13) clusters for the oxygen reduction reaction: First-principles calculations. Journal of Chemical Physics. 143:-. 2015-01-01
- Stability of Ni Clusters and the Adsorption of CH4: First-Principles Calculations. Journal of Physical Chemistry C. 119:12378-12384. 2015-01-01
- Structural, electronic, and magnetic properties of AgnCo (n=1-9) clusters: A first-principles study. Computational and Theoretical Chemistry. 1066:55-61. 2015-01-01
- Recent trends on the valorization of winemaking industry wastes. Current Opinion in Green and Sustainable Chemistry. -. 2021-01-01
- Reply to ‘Comment on “Structural characterization, reactivity, and vibrational properties of silver clusters: A new global minimum for Ag16”’ by P. V. Nhat, N. T. Si, L. V. Duong and M. T. Nguyen,Phys. Chem. Chem. Phys., 2021,23, DOI: D1CP00646K. Physical Chemistry Chemical Physics. 12904-12906. 2021-01-01