Vibrational and nonlinear optical properties of rylenes calculated by ab initio methods

Journal of Chemical Physics

Volumn 108, Issue 20, 1998, Pages 8662-8670

  Rumi, Mariacristina ^a   Zerbi, Giuseppe ^a   Müllen, Klaus ^b  

^a POLITECNICO DI MILANO   (Italy)

^b MAX PLANCK INSTITUTE FOR POLYMER RESEARCH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BAND STRUCTURE; CALCULATIONS; INFRARED SPECTROSCOPY; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; NAPHTHALENE; NONLINEAR OPTICS; NUMERICAL METHODS; OPTICAL PROPERTIES; OPTIMIZATION; POLARIZATION; RAMAN SPECTROSCOPY;

AB INITIO METHODS; EFFECTIVE CONJUGATION COORDINATE THEORY; PERYLENE; SECOND ORDER MOLECULAR HYPERPOLARIZABILITY; TERRYLENE;

ORGANIC COMPOUNDS;

EID: 0032071674     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.476305     Document Type: Article

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