Theoretical study of anharmonic and matrix effects on the molecular structure and vibrational frequencies of GdF3 and GdCl3

ChemPhysChem

Volumn 5, Issue 1, 2004, Pages 120-123

  Lanza, Giuseppe ^a   Minichino, Camilla ^a  

^a UNIVERSITY OF BASILICATA   (Italy)

Author keywords

Ab initio calculations; Halides; IR spectroscopy; Lanthanides

Indexed keywords

CALCULATIONS; CHLORINE COMPOUNDS; GADOLINIUM COMPOUNDS; INERT GASES; INFRARED SPECTROSCOPY; POTENTIAL ENERGY; QUANTUM CHEMISTRY; RARE EARTH ELEMENTS;

AB INITIO CALCULATIONS; EQUILIBRIUM STATE; EQUILIBRIUM STRUCTURES; HALIDES; LANTHANIDE TRIHALIDES; MOLECULAR PROPERTIES; OUT-OF-PLANE BENDING; POTENTIAL ENERGY CURVES;

FLUORINE COMPOUNDS;

FLUORINE; GADOLINIUM; INERT GAS; LANTHANIDE;

ARTICLE; CHEMICAL STRUCTURE; ENERGY; GEOMETRY; MOLECULAR DYNAMICS; QUANTUM CHEMISTRY; TEMPERATURE; VIBRATION;

EID: 2442559986     PISSN: 14394235     EISSN: None     Source Type: Journal    
DOI: 10.1002/cphc.200300766     Document Type: Article

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