Ab initio study on geometrical structures of the TTTA molecular crystal

Science and Technology of Advanced Materials

Volumn 5, Issue 5-6, 2004, Pages 689-692

  Furuya, Miou ^a   Kawazoe, Yoshiyuki ^b   Ohno, Kaoru ^a  

^a YOKOHAMA NATIONAL UNIVERSITY   (Japan)

^b TOHOKU UNIVERSITY   (Japan)

Author keywords

Ab initio calculation; Band structure; Molecular crystal

Indexed keywords

AROMATIC COMPOUNDS; BAND STRUCTURE; COMPUTATIONAL GEOMETRY; CRYSTAL STRUCTURE; DIMERIZATION; FREE RADICAL POLYMERIZATION; HYSTERESIS; MAGNETIZATION; OPTIMIZATION; PHASE TRANSITIONS;

AB INITIO CALCULATIONS; HIGH TEMPERATURE (HT) PHASES; ORGANIC RADICAL MOLECULES;

MOLECULAR CRYSTALS;

EID: 9444221400     PISSN: 14686996     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.stam.2004.03.007     Document Type: Conference Paper

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