Dft and td-dft study of the chemical effect in the sers spectra of piperidine adsorbed on silver colloidal nanoparticles

HIGHLIGHTS

• who: Francesco Muniz-Miranda and colleagues from the Department and Geological Sciences (DSCG), University of Modena and Reggio Emilia, Via Campi, Modena, Italy have published the article: DFT and TD-DFT Study of the Chemical Effect in the SERS Spectra of Piperidine Adsorbed on Silver Colloidal Nanoparticles, in the Journal: Nanomaterials 2022, 2907 of 24/08/2022
• what: The authors analyzed these spectral features by DFT calculations, by considering model complexes with the piperidine molecules in two possible conformational situations, axial and equatorial, linked to neutral or positively charged silver adatom.
• how: For . . .
  

   

  

  If you want to have access to all the content you need to log in!

  Thanks :)

  Username or Email

  Password

  Remember me

  Lost your password?

  If you don't have an account, you can create one here.