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Volumn 54, Issue 4, 2008, Pages 308-311

Solvent effects on the electronic state of monolignol radicals as predicted by molecular orbital calculations

Author keywords

Charge density; Lignin; Molecular orbital calculation; Radical; Spin density

Indexed keywords

DRUG PRODUCTS; ELECTRONIC STATES; MOLECULAR MODELING; SOLVENTS;

EID: 50049109695     PISSN: 14350211     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10086-008-0955-7     Document Type: Article
Times cited : (11)

References (10)
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  • 2
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  • 4
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    • Transition state leading to β-O′ quinonemethide intermediate of p-coumaryl alcohol analyzed by semi-empirical molecular orbital calculation
    • M. Shigematsu T. Kobayashi H. Taguchi M. Tanahashi 2006 Transition state leading to β-O′ quinonemethide intermediate of p-coumaryl alcohol analyzed by semi-empirical molecular orbital calculation J Wood Sci 52 128 133
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  • 5
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  • 7
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    • M. Shigematsu H. Masamoto 2007 Suitable calculation model and basis set for molecular orbital calculation of coniferyl alcohol radicals (in Japanese) Fukuoka Univ Rev Technol Sci 79 75 80
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  • 9
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    • Solvent effect on the conformations of phenol, anisole and guaiacol simulated with MOPAC2000
    • M. Shigematsu T. Kobayashi M. Tanahashi 2001 Solvent effect on the conformations of phenol, anisole and guaiacol simulated with MOPAC2000 Jpn Chem Program Exchange J 13 177 182
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  • 10
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.