Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene

Journal of Chemical Physics

Volumn 133, Issue 24, 2010, Pages

  Zaleśny, Robert ^a   Bulik, Ireneusz W ^a,e   Bartkowiak, Wojciech ^a   Luis, Josep M ^b   Avramopoulos, Aggelos ^c   Papadopoulos, Manthos G ^c   Krawczyk, Przemysaw ^d  

^a WROCLAW UNIVERSITY OF TECHNOLOGY   (Poland)

^b UNIVERSITY OF GIRONA   (Spain)

^c INSTITUTE OF BIOLOGY   (Greece)

^d NICOLAUS COPERNICUS UNIVERSITY   (Poland)

^e RICE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DONOR-ACCEPTORS; ELECTRIC DIPOLE; EXCHANGE-CORRELATION POTENTIAL; FIRST HYPERPOLARIZABILITIES; HIGHER ORDER; NUCLEAR RELAXATION; PHOTOACTIVE MOLECULES; POLARIZABILITIES; TOTAL VALUES; VIBRATIONAL CONTRIBUTIONS;

ISOMERS;

DENSITY FUNCTIONAL THEORY;

AZO COMPOUND; AZOBENZENE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; ELECTRON; VIBRATION;

AZO COMPOUNDS; COMPUTER SIMULATION; ELECTRONS; MOLECULAR STRUCTURE; VIBRATION;

EID: 78650860735     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3516209     Document Type: Article

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