All Stories

  1. Evolution on the Size of Protected Metal Clusters by Assembly of Au4 and Au6 Units

    Article • ACS Omega, August 2025, American Chemical Society (ACS)

    Dr Alfredo Tlahuice

  2. 5-step algorithm to accelerate the prediction of [Au25(SR)19]z clusters (z = 1−, 0, 1+)

    Article • RSC Advances, January 2024, Royal Society of Chemistry

    Dr Alfredo Tlahuice

  3. Splitting of pollutant NO molecules inside Sc20C48X12 (X = C, N, P) structures: A DFT‐D study

    Article • Journal of Raman Spectroscopy, September 2023, Wiley

    Dr Alfredo Tlahuice

  4. Modeling 13 Archimedean solids by an object-oriented language

    Article • Mundo Nano Revista Interdisciplinaria en Nanociencia y Nanotecnología, December 2021, Universidad Nacional Autonoma de Mexico

    Dr Alfredo Tlahuice

  5. [Au7(SR)7] Ring as a New Type of Protection Ligand in a New Atomic Structure of Au15(SR)13 Nanocluster

    Article • The Journal of Physical Chemistry A, June 2021, American Chemical Society (ACS)

    Dr Alfredo Tlahuice

  6. Effect of the charge state on the structure of the Au60 cluster

    Article • Physical Chemistry Chemical Physics, January 2021, Royal Society of Chemistry

    Dr Alfredo Tlahuice

  7. On the structure of Au11(SR)9 and Au13(SR)11 clusters

    Article • Physical Chemistry Chemical Physics, January 2021, Royal Society of Chemistry

    Dr Alfredo Tlahuice

  8. Platonic Solids and Their Programming: A Geometrical Approach

    Article • Journal of Chemical Education, February 2020, American Chemical Society (ACS)

    Dr Alfredo Tlahuice

  9. Effect of heteroatom doping on the hydrogenation of volleyballene

    Article • Journal of Raman Spectroscopy, July 2019, Wiley

    Dr Alfredo Tlahuice

  10. New Polyhedra Approach To Explain the Structure and Evolution on Size of Thiolated Gold Clusters

    Article • The Journal of Physical Chemistry C, April 2019, American Chemical Society (ACS)

    Dr Alfredo Tlahuice

  11. New two-dimensional carbon nitride allotrope with 1 : 1 stoichiometry featuring spine-like structures: a structural and electronic DFT-D study

    Article • Physical Chemistry Chemical Physics, January 2019, Royal Society of Chemistry

    Dr Alfredo Tlahuice

  12. Effect of the charge state on bare monoicosahedral [Au13]z+ and diphosphine-protected Au13 clusters [Au13(dmpe)5Cl2]z+: structural, electronic and vibrational DFT studies

    Article • Physical Chemistry Chemical Physics, January 2019, Royal Society of Chemistry

    Dr Alfredo Tlahuice

  13. Tri-icosahedral Au37 cluster as a carrier/detector for anti-cancer cisplatin drug

    Article • Journal of Raman Spectroscopy, October 2018, Wiley

    Dr Alfredo Tlahuice

  14. Hydrogen Storage on Volleyballene: Prediction of the Sc20C60H70 Cluster

    Article • The Journal of Physical Chemistry C, June 2018, American Chemical Society (ACS)

    Dr Alfredo Tlahuice

  15. Hydrogen storage on volleyballene

    Article • Physical Chemistry Chemical Physics, January 2018, Royal Society of Chemistry

    Dr Alfredo Tlahuice

  16. penta-graphene nanotubes

    Article • Computational and Theoretical Chemistry, May 2017, Elsevier

    Dr Alfredo Tlahuice

  17. Evolution of the structural and electronic properties of small alkali metal-doped aluminum clusters

    Article • Computational and Theoretical Chemistry, January 2017, Elsevier

    Dr Alfredo Tlahuice

  18. Thiolated Au18 cluster as a cisplatin carrier

    Article • Physical Chemistry Chemical Physics, January 2017, Royal Society of Chemistry

    Dr Alfredo Tlahuice

  19. Study of ligands on the structure and vibrational properties of thiolated Au18 cluster.

    Article • Progress in Natural Science Materials International, October 2016, Elsevier

    Dr Alfredo Tlahuice

  20. Thiolated Au18 cluster: preferred Ag sites for doping, structures, and optical and chiroptical properties

    Article • Physical Chemistry Chemical Physics, January 2016, Royal Society of Chemistry

    Dr Alfredo Tlahuice

  21. Ligand effects on the optical and chiroptical properties of the thiolated Au18 cluster

    Article • Physical Chemistry Chemical Physics, January 2016, Royal Society of Chemistry

    Dr Alfredo Tlahuice

  22. New insight into the structure of the C60Sc20 cluster: bonding, vibrational and optical properties

    Article • Physical Chemistry Chemical Physics, January 2016, Royal Society of Chemistry

    Dr Alfredo Tlahuice

  23. Doped penta-graphene and hydrogenation of its related structures: a structural and electronic DFT-D study

    Article • Physical Chemistry Chemical Physics, January 2016, Royal Society of Chemistry

    Dr Alfredo Tlahuice

  24. Chiral phosphorus nanotubes: structure, bonding, and electronic properties

    Article • Physical Chemistry Chemical Physics, January 2016, Royal Society of Chemistry

    Dr Alfredo Tlahuice

  25. ESI-MS Identification of Abundant Copper–Gold Clusters Exhibiting High Plasmonic Character

    Article • The Journal of Physical Chemistry C, February 2015, American Chemical Society (ACS)

    Dr Alfredo Tlahuice

  26. New insight into the structure of thiolated gold clusters: a structural prediction of the Au187(SR)68 cluster

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Dr Alfredo Tlahuice

  27. Surface‐enhanced Raman scattering of N‐acetylneuraminic acid on silver nanoparticle surface

    Article • Journal of Raman Spectroscopy, July 2014, Wiley

    Dr Alfredo Tlahuice

  28. On the structure of the thiolated Au6Ag7cluster

    Article • Physical Chemistry Chemical Physics, July 2014, Royal Society of Chemistry

    Dr Alfredo Tlahuice

  29. Interaction between functionalized gold nanoparticles in physiological saline

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Dr Alfredo Tlahuice

  30. Structure of the Thiolated Au130 Cluster

    Article • The Journal of Physical Chemistry A, September 2013, American Chemical Society (ACS)

    Dr Alfredo Tlahuice

  31. Ligand Effects on the Structure and the Electronic Optical Properties of Anionic Au25(SR)18 Clusters

    Article • The Journal of Physical Chemistry C, September 2013, American Chemical Society (ACS)

    Dr Alfredo Tlahuice

  32. Optical properties of thiolate-protected Ag n Au25−n (SCH3)18 − clusters

    Article • Journal of Nanoparticle Research, June 2013, Springer Science + Business Media

    Dr Alfredo Tlahuice

  33. Vibrational Normal Modes of Small Thiolate-Protected Gold Clusters

    Article • The Journal of Physical Chemistry C, May 2013, American Chemical Society (ACS)

    Dr Alfredo Tlahuice

  34. STEM Electron Diffraction and High-Resolution Images Used in the Determination of the Crystal Structure of the Au144(SR)60 Cluster

    Article • The Journal of Physical Chemistry Letters, March 2013, American Chemical Society (ACS)

    Dr Alfredo Tlahuice

  35. Zwitterion l-cysteine adsorbed on the Au20 cluster: enhancement of infrared active normal modes

    Article • Journal of Molecular Modeling, January 2013, Springer Science + Business Media

    Dr Alfredo Tlahuice

  36. Normal modes of Au25(SCH3)18−, Ag12Au13(SCH3)18−and Ag25(SCH3)18−clusters

    Article • Molecular Simulation, January 2013, Taylor & Francis

    Dr Alfredo Tlahuice

  37. Structure & bonding of the gold-subhalide cluster I-Au144Cl60[z]

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Dr Alfredo Tlahuice

  38. On the structure of the thiolated Au15 cluster

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Dr Alfredo Tlahuice

  39. Structures and chiroptical properties of the BINAS-monosubstituted Au38(SCH3)24 cluster

    Article • Nanoscale, January 2013, Royal Society of Chemistry

    Dr Alfredo Tlahuice

  40. On the structure and normal modes of hydrogenated Ti-fullerene compounds

    Article • Journal of Nanoparticle Research, July 2012, Springer Science + Business Media

    Dr Alfredo Tlahuice

  41. Structural, electronic, optical, and chiroptical properties of small thiolated gold clusters: the case of Au6 and Au8 cores protected with dimer [Au2(SR)3] and trimer [Au3(SR)4)] motifs

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Dr Alfredo Tlahuice

  42. On the structure of the Au18(SR)14 cluster

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Dr Alfredo Tlahuice

  43. On the Structure and Properties of Silver Nanoparticles

    Article • The Journal of Physical Chemistry C, August 2008, American Chemical Society (ACS)

    Dr Alfredo Tlahuice