Published in

Royal Society of Chemistry, Physical Chemistry Chemical Physics, 37(22), p. 21504-21511, 2020

DOI: 10.1039/d0cp04240d

Links

Tools

Export citation

Search in Google Scholar

Simulations of X-ray absorption spectroscopy and energetic conformation of N-heterocyclic carbenes on Au(111)

Journal article published in 2020 by Felipe Crasto de Lima ORCID, Adalberto Fazzio, Alastair B. McLean ORCID, Roberto Hiroki Miwa ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

Full text: Unavailable

Green circle
Preprint: archiving allowed
Upload
Orange circle
Postprint: archiving restricted
Upload
Red circle
Published version: archiving forbidden
Policy details
Data provided by SHERPA/RoMEO

Abstract

We have performed first-principles total energy calculations to investigate the stable energetic conformations and simulations of the X-ray absorption spectroscopy of N-heterocyclic carbenes.