---
res:
  bibo_abstract:
  - Primary amines can interact with neighbor molecules or with a metal substrate
    via weak bonds involving the electron lone pair of their amino functional group.
    Near edge X-ray absorption spectra (NEXAFS) on the N 1s edge show that the structure
    of the empty molecular orbitals localized on the nitrogen atom is very sensitive
    to these interactions. Here we investigate the origin of these changes by means
    of theoretical calculations. NEXAFS spectra are simulated for the 1,4-benzenediamine
    (BDA) molecule in its free, crystalline, and monolayer on Au(111) forms. We identify
    the electronic states which are affected by these amino-based interactions. In
    the case of the molecular layer grown on the gold substrate, we show how the results
    of the calculations can be used to identify intermolecular interactions influencing
    adsorption geometries in molecular monolayers.@eng
  bibo_authorlist:
  - foaf_Person:
      foaf_givenName: Gabriele
      foaf_name: Balducci, Gabriele
      foaf_surname: Balducci
  - foaf_Person:
      foaf_givenName: Michele
      foaf_name: Romeo, Michele
      foaf_surname: Romeo
  - foaf_Person:
      foaf_givenName: Mauro
      foaf_name: Stener, Mauro
      foaf_surname: Stener
  - foaf_Person:
      foaf_givenName: Giovanna
      foaf_name: Fronzoni, Giovanna
      foaf_surname: Fronzoni
  - foaf_Person:
      foaf_givenName: Dean
      foaf_name: Cvetko, Dean
      foaf_surname: Cvetko
  - foaf_Person:
      foaf_givenName: Albano
      foaf_name: Cossaro, Albano
      foaf_surname: Cossaro
  - foaf_Person:
      foaf_givenName: Martina
      foaf_name: Dell’Angela, Martina
      foaf_surname: Dell’Angela
  - foaf_Person:
      foaf_givenName: Gregor
      foaf_name: Kladnik, Gregor
      foaf_surname: Kladnik
  - foaf_Person:
      foaf_givenName: Latha
      foaf_name: Venkataraman, Latha
      foaf_surname: Venkataraman
      foaf_workInfoHomepage: http://www.librecat.org/personId=9ebb78a5-cc0d-11ee-8322-fae086a32caf
    orcid: 0000-0002-6957-6089
  - foaf_Person:
      foaf_givenName: Alberto
      foaf_name: Morgante, Alberto
      foaf_surname: Morgante
  bibo_doi: 10.1021/jp512146t
  bibo_issue: '4'
  bibo_volume: 119
  dct_date: 2014^xs_gYear
  dct_isPartOf:
  - http://id.crossref.org/issn/1932-7447
  - http://id.crossref.org/issn/1932-7455
  dct_language: eng
  dct_publisher: American Chemical Society@
  dct_title: 'Computational study of amino mediated molecular interaction evidenced
    in N 1s NEXAFS: 1,4-diaminobenzene on Au (111)@'
...