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ÔÚAspen PlusÖÐÀûÓÃÐÔÖÊ·ÖÎö¿ÉÒÔ»ñµÃÎïÖʵÄһЩÐÔÖÊ,Èç²éµÃ°±ÆøµÄһЩÐÔÖÊÈçÏÂ,Çë¸ßÊÖÖ¸½ÌÒ»ÏÂ,·Ö±ðÊÇÖ¸µÄÄÄЩÐÔÖÊ.
Data set        unit                Component       
API                 1        340.0000000
CHARGE                 1        0.0
DGFORM        kcal/mol        1        -3.917072705
DHAQFM        kcal/mol        1        -19.17693704
DHFORM        kcal/mol        1        -10.96254896
DHVLB        kcal/mol        1        5.571892615
HCOM        kcal/mol        1        -75.67354543
MUP        debye        1        1.468985491
MW                 1        17.03056000
OMEGA                 1        .2526080000
PC        atm        1        111.3249445
RKTZRA                 1        .2466000000
S025E        cal/mol-K        1        69.70108436
SG                 1        .3000000000
TB        C        1        -33.43000000
TC        K        1        405.6500000
VB        cc/mol        1        24.98010000
VC        cc/mol        1        72.47000000
VLSTD        cc/mol        1        53.55780000
ZC                 1        .2420000000

[ Last edited by dongdong3881 on 2009-12-16 at 12:23 ]
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