TY - JOUR
T1 - Vibrational spectroscopy using ab initio density-functional techniques
AU - Hafner, Juergen
N1 - DOI: 10.1016/S0022-2860(02)00624-5
Coden: JMOSB
Affiliations: Institut für Materialphysik, Ctr. for Compl. Materials Science, Universität Wien, Sensengasse 8/12, A-1090 Wien, Austria
Adressen: Hafner, J.; Institut für Materialphysik; Ctr. for Compl. Materials Science; Universität Wien; Sensengasse 8/12 A-1090 Wien, Austria
Import aus Scopus: 2-s2.0-0038682112
22.10.2007: Datenanforderung 1935 (Import Sachbearbeiter)
22.10.2007: Datenanforderung 1936 (Import Sachbearbeiter)
PY - 2003
Y1 - 2003
N2 - The basic concepts for ab initio density-functional calculations of vibrational spectra for molecules and solids are reviewed. Applications to a wide range of problems, from the characterization of hydrogenated diamond surfaces to the spectroscopy of molecular adsorbates on metallic surfaces and of molecular crystals to the investigation of molecular processes in zeolites will be reviewed. Π2003 Elsevier Science B.V. All rights reserved.
AB - The basic concepts for ab initio density-functional calculations of vibrational spectra for molecules and solids are reviewed. Applications to a wide range of problems, from the characterization of hydrogenated diamond surfaces to the spectroscopy of molecular adsorbates on metallic surfaces and of molecular crystals to the investigation of molecular processes in zeolites will be reviewed. Π2003 Elsevier Science B.V. All rights reserved.
U2 - 10.1016/S0022-2860(02)00624-5
DO - 10.1016/S0022-2860(02)00624-5
M3 - Meeting abstract/Conference paper
SN - 0022-2860
VL - 651-653
SP - 3
EP - 17
JO - Journal of Molecular Structure
JF - Journal of Molecular Structure
ER -