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Proton-transfer dynamics in the (HCO3−)2 dimer of KHCO3 from Car–Parrinello and path-integrals molecular dynamics calculations

Proton-transfer dynamics in the (HCO3−)2 dimer of KHCO3 from Car–Parrinello and path-integrals molecular dynamics calculations

  • 卷第66卷
  • 期第2期
  • 印刷ISSN0108-7681
  • 电子ISSN1600-5740
  • 文件大小940.36KB
  • 发表时间2010
  • DOI10.1107/s0108768110002314
  • 页码222-228
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