Search Results - Rerat, M.

  • Showing 1 - 3 results of 3
Refine Results
  1. 1
    Properties of Carbon Nanotubes: An ab Initio Study Using Large Gaussian Basis Sets and Various DFT Functionals

    Properties of Carbon Nanotubes: An ab Initio Study Using Large Gaussian Basis Sets and Various DFT Functionals by Demichelis, Raffaella, Noel, Y., D'Arco, P., Rerat, M., Zicovich-Wilson, C., Dovesi, R.

    Published 2011
    Get full text
  2. 2
    Electronic structure, dielectric properties and infrared vibrational spectrum of fayalite: An ab initio simulation with an all-electron Gaussian basis set and the B3LYP functional

    Electronic structure, dielectric properties and infrared vibrational spectrum of fayalite: An ab initio simulation with an all-electron Gaussian basis set and the B3LYP functional by Noël, Y., De La Pierre, Marco, Maschio, L., Rérat, M., Zicovich-Wilson, C., Dovesi, R.

    Published 2012
    Get full text
  3. 3
    CRYSTAL14: A program for the ab initio investigation of crystalline solids

    CRYSTAL14: A program for the ab initio investigation of crystalline solids by Dovesi, R., Orlando, R., Erba, A., Zicovich-Wilson, C., Civalleri, B., Casassa, S., Maschio, L., Ferrabone, M., De La Pierre, M, D'Arco, P., Noël, Y., Causà, M., Rérat, M., Kirtman, B.

    Published 2014
    Get full text

Search Tools: