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2Â¥2013-11-29 08:05:08
lcl19870223
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ÉÏÒ»²½ÊäÈëÎļþ %chk=06.chk # B3LYP/6-311G(d,p) TD=(Read,NStates=6,Root=1) SCRF=(Solvent=water,ExternalIteration,Read) Geom=Check Guess=Read 3-aminophtalate ion: emission state-specific solvation at first excited state optimized geometry -2 1 ÏÂÒ»²½ %chk=07.chk # B3LYP/6-311G(d,p) SCRF=(Solvent=water,Read) Geom=Check Guess=Read 3-aminophtalate ion: ground state non-equilibrium at excited state geometry -2 1 NonEq=read |
3Â¥2013-11-29 09:17:27














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