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| 21.11.2007
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| Vishnyakovi artikli http://dx.doi.org/10.1021/jp004082p laengud on jamad: SO3 rühma kogulaeng on liiga väike ja ei lähe kvantkeemiaga kokku.
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| Teha: asendada laengud Goddardi omadega artiklist http://dx.doi.org/10.1021/jp036842c
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| Teised viited:
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| http://dx.doi.org/10.1002/jcc.1033
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| Urata: http://dx.doi.org/10.1021/jp046434o
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| file "tarmo_results.pdf"
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| 21.11.2007
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| Kirjutasin Goddardi laengud DEFS-failidesse Gaussian/nafion/Li-Goddardi-laengutega/l1/DEFS
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| ja
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| Gaussian/nafion/Li-Goddardi-laengutega/l4/DEFS
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| Plaanis: kontrollida üle VDW-faili aatomite tähistused
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