HF-STEX and RASSCF calculations on nitrogen K-shell X-ray absorption of purine base and its derivative

Yuji Mochizuki, Hiroshi Koide, Toshiyuki Imamura, Hiroshi Takemiya

研究成果: ジャーナルへの寄稿記事

15 引用 (Scopus)

抄録

The nitrogen K-shell X-ray absorption spectra of the purine bases present in nucleic acids, adenine and guanine, were analyzed by using ab initio Hartree-Fock static exchange and restricted-active-space self-consistent-field calculations. A variety of derivative molecules were calculated to investigate the energetic shifts due to environmental effects on the nitrogen atoms. Shake-up excitations were also addressed.

元の言語英語
ページ(範囲)1003-1005
ページ数3
ジャーナルJournal of Synchrotron Radiation
8
発行部数2
DOI
出版物ステータス出版済み - 3 1 2001

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purines
guanines
adenines
X ray absorption
nucleic acids
nitrogen atoms
self consistent fields
Nitrogen
Derivatives
absorption spectra
nitrogen
shift
Nucleic acids
excitation
Environmental impact
molecules
Absorption spectra
x rays
Atoms
Molecules

All Science Journal Classification (ASJC) codes

  • Radiation
  • Nuclear and High Energy Physics
  • Instrumentation

これを引用

HF-STEX and RASSCF calculations on nitrogen K-shell X-ray absorption of purine base and its derivative. / Mochizuki, Yuji; Koide, Hiroshi; Imamura, Toshiyuki; Takemiya, Hiroshi.

:: Journal of Synchrotron Radiation, 巻 8, 番号 2, 01.03.2001, p. 1003-1005.

研究成果: ジャーナルへの寄稿記事

Mochizuki, Yuji ; Koide, Hiroshi ; Imamura, Toshiyuki ; Takemiya, Hiroshi. / HF-STEX and RASSCF calculations on nitrogen K-shell X-ray absorption of purine base and its derivative. :: Journal of Synchrotron Radiation. 2001 ; 巻 8, 番号 2. pp. 1003-1005.
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