[Molds-dev] [molds] #29956: Unrestricted CNDO/S

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2012年 10月 27日 (土) 02:57:47 JST


#29956: Unrestricted CNDO/S

  Open Date: 2012-10-27 02:57
Last Update: 2012-10-27 02:57

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Last Changes/Comment for this Ticket:
2012-10-27 02:57 Update by: mikiya_fujii

 * New Ticket "Unrestricted CNDO/S" created

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Ticket Status:

      Reporter: mikiya_fujii
         Owner: (未割り当て)
          Type: 機能リクエスト
        Status: オープン
      Priority: 5 - 中
     MileStone: (未割り当て)
     Component: (未割り当て)
      Severity: 5 - 中
    Resolution: なし
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Ticket details:

Theoretica chimica acta, July 1981, Volume 59, Issue 4, pp 437-450
Unrestricted Hartree-Fock instabilities in semiempirical CNDO/S and INDO/S calculations of spin-spin coupling constants
http://link.springer.com/article/10.1007%2FBF02402405?LI=true

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