Periodic ab initio estimates of the dispersive interaction between molecular nitrogen and a monolayer of hexagonal BN

M. Halo, S. Casassa, L. Maschio, C. Pisani, R. Dovesi, D. Ehinon, I. Baraille, M. Rérat, D. Usvyat
  • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry
  • DOI: 10.1039/c0cp01687j