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  • The interaction energies of 9-methyladenine...1-methylthymine H-bonded and 9-methyladenine...9-methylguanine stacked pairs were evaluated at the MP2 and resolution of the identity MP2 (RI-MP2) levels. The interaction energies are almost identical for both methods. The RI-MP2 method is about one order of magnitude faster than the exact MP2 method and, therefore, this method is well suited for the study of large models of biological importance.
  • The interaction energies of 9-methyladenine...1-methylthymine H-bonded and 9-methyladenine...9-methylguanine stacked pairs were evaluated at the MP2 and resolution of the identity MP2 (RI-MP2) levels. The interaction energies are almost identical for both methods. The RI-MP2 method is about one order of magnitude faster than the exact MP2 method and, therefore, this method is well suited for the study of large models of biological importance. (en)
Title
  • RI-MP2 Calculations with Extended Basis Sets - a Promising Tool for Study of H-bonded and Stacked DNA Base Pairs.
  • RI-MP2 Calculations with Extended Basis Sets - a Promising Tool for Study of H-bonded and Stacked DNA Base Pairs. (en)
skos:prefLabel
  • RI-MP2 Calculations with Extended Basis Sets - a Promising Tool for Study of H-bonded and Stacked DNA Base Pairs.
  • RI-MP2 Calculations with Extended Basis Sets - a Promising Tool for Study of H-bonded and Stacked DNA Base Pairs. (en)
skos:notation
  • RIV/61388955:_____/01:54010220!RIV/2003/AV0/A54003/N
http://linked.open.../vavai/riv/strany
  • 4578;4582
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  • P(LN00A032), Z(AV0Z4040901)
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  • 20
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  • 694776
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  • RIV/61388955:_____/01:54010220
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  • RI-MP2 calculations; - hydrogen bonded and stacked DNA base pairs (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV
  • [9D34C6484544]
http://linked.open...i/riv/nazevZdroje
  • Physical Chemistry Chemical Physics
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http://linked.open...v/svazekPeriodika
  • 3
http://linked.open...iv/tvurceVysledku
  • Hobza, Pavel
  • Nachtigall, Petr
  • Jurečka, Petr
http://linked.open...n/vavai/riv/zamer
issn
  • 1463-9076
number of pages
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