Theoretical studies of the vibrational properties of the 3,4,9,10,-perylene tetracarboxylic dianhydride (PTCDA) molecule

Journal of Molecular Structure: THEOCHEM

Volumn 625, Issue 1-3, 2003, Pages 39-46

  Kobitski, A Yu ^a,b   Scholz, R ^a   Zahn, D R T ^a  

^a CHEMNITZ UNIVERSITY OF TECHNOLOGY   (Germany)

^b UNIVERSITY OF ULM   (Germany)

Author keywords

B3LYP; Density functional theory; PTCDA; Vibrational modes

Indexed keywords

3,4,9,10 PERYLENE TETRACARBOXYLIC DIANHYDRIDE; PERYLENE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CRYSTAL; DENSITY FUNCTIONAL THEORY; FILM; GEOMETRY; INFRARED SPECTROSCOPY; RAMAN SPECTROMETRY; SEMICONDUCTOR; VIBRATION;

EID: 0038077223     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(02)00755-8     Document Type: Article

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