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Variation of polarizability in the [4n+2] annulene series: from [22]- to [66]-annulene
- Garcia Cuesta, Inmaculada (author)
- Sanchez Marin, Jose (author)
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- Pedersen, Thomas (author)
- Lund University,Lunds universitet,Beräkningskemi,Enheten för fysikalisk och teoretisk kemi,Kemiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Computational Chemistry,Physical and theoretical chemistry,Department of Chemistry,Departments at LTH,Faculty of Engineering, LTH
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- Koch, Henrik (author)
- Sanchez De Meras, Alfredo M J (author)
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- (creator_code:org_t)
- 2008
- 2008
- English.
- In: Physical Chemistry Chemical Physics. - : Royal Society of Chemistry (RSC). - 1463-9084. ; 10:3, s. 361-365
- Journal article (peer-reviewed)
Abstract
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- Using correlated ab initio methods, the polarizability of large [4n + 2]-annulenes is determined, showing that there exists an almost linear relation between the exaltation of magnetic susceptibility (a measure of aromaticity) and an equivalent enlargement of polarizability.
Subject headings
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
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