Giant enhancement of the second hyperpolarizabilities of open-shell singlet polyaromatic diphenalenyl diradicaloids by an external electric field and donor-acceptor substitution

Journal of Physical Chemistry Letters

Volumn 2, Issue 9, 2011, Pages 1094-1098

  Nakano, Masayoshi ^a   Minami, Takuya ^a   Yoneda, Kyohei ^a   Muhammad, Shabbir ^a   Kishi, Ryohei ^a   Shigeta, Yasuteru ^a   Kubo, Takashi ^a   Rougier, Léa ^b   Champagne, Benoiit ^b   Kamada, Kenji ^c   Ohta, Koji ^c  

^a OSAKA UNIVERSITY   (Japan)

^b UNIVERSITY OF NAMUR   (Belgium)

^c NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CLOSED SHELLS; DENSITY FUNCTIONAL THEORY CALCULATIONS; DIRADICALS; DONOR-ACCEPTOR SUBSTITUTIONS; ENHANCEMENT RATIOS; EXCHANGE-CORRELATION FUNCTIONALS; EXTERNAL ELECTRIC FIELD; OPEN-SHELL; ORDERS OF MAGNITUDE; PHENALENYL; POLYAROMATICS; SECOND HYPERPOLARIZABILITIES; THERMAL STABILITY;

DENSITY FUNCTIONAL THEORY;

ELECTRIC FIELDS;

EID: 79955891980     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz200383a     Document Type: Article

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