Theoretical study of staging structure in the neutral-ionic transition of charge-transfer complexes

Phase Transitions

Volumn 75, Issue 7-8, 2002, Pages 831-837

  Iizuka Sakano, T ^a   Kawamoto, T ^a   Shimo, Y ^a,b   Abe, S ^a  

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

^b INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

Author keywords

ab initio quantum chemical calculations; Ewald method; Mixed stack charge transfer complex; Neutral ionic transition; Staging

Indexed keywords

ELECTRIC CHARGE; ION EXCHANGE; IONS; MOLECULAR ORIENTATION; QUANTUM THEORY; STACKING FAULTS;

AB INITIO QUANTUM CHEMICAL CALCULATIONS; EWALD METHOD; MIXED-STACK CHARGE-TRANSFER COMPLEX; NEUTRAL-IONIC TRANSITION; STAGING;

CHARGE TRANSFER;

EID: 0141719008     PISSN: 01411594     EISSN: 10290338     Source Type: Journal    
DOI: 10.1080/01411590290033958     Document Type: Article

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