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  • Himo, FUppsala universitet,Fysiska institutionen (author)

Substituent effects on OH bond strength and hyperfine properties of phenol, as model for modified tyrosyl radicals in proteins

  • Article/chapterEnglish2000

Publisher, publication year, extent ...

  • JOHN WILEY & SONS INC,2000
  • printrdacarrier

Numbers

  • LIBRIS-ID:oai:DiVA.org:uu-36853
  • https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-36853URI

Supplementary language notes

  • Language:English
  • Summary in:English

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  • Subject category:ref swepub-contenttype
  • Subject category:art swepub-publicationtype

Notes

  • Addresses: Himo F, Univ Stockholm, Dept Phys, Box 6730, S-11385 Stockholm, Sweden. Univ Stockholm, Dept Phys, S-11385 Stockholm, Sweden. Univ Uppsala, Dept Quantum Chem, S-75120 Uppsala, Sweden.
  • Density functional theory is used to investigate the effects of a variety of substituents (CH3, OH, OCH3, SH, SCH3, NH2, NMe2, NO2, F, Cl, CN, and imidazole) on the phenol O-H bond dissociation energy (BDE) and phenoxyl radical hyperfine properties. Subst

Subject headings and genre

  • phenol; substituent effects; radical; density functional theory; bond dissociation energy; CYTOCHROME-C-OXIDASE; RIBONUCLEOTIDE REDUCTASE; GALACTOSE-OXIDASE; ELECTRON-TRANSFER; PHOTOSYSTEM-II; DENSITY; DISSOCIATION; EXCHANGE; ANISOLES; ENERGY

Added entries (persons, corporate bodies, meetings, titles ...)

  • Eriksson, LAUppsala universitet,Institutionen för kvantkemi (author)
  • Blomberg, MRA (author)
  • Siegbahn, PEM (author)
  • Uppsala universitetFysiska institutionen (creator_code:org_t)

Related titles

  • In:INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY: JOHN WILEY & SONS INC76:6, s. 714-7230020-7608

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