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shenailin

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Originally posted by hexinchem at 2011-04-28 16:32:50:
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Zero-point correction=                           0.226787 (Hartree/Particle)
Thermal correction to Energy=                    0.243374
Thermal correction to Enthalpy=                  0.244319
Thermal correction to Gibbs Free Energy=         0.180866
Sum of electronic and zero-point Energies=           -937.727666
Sum of electronic and thermal Energies=              -937.711078
Sum of electronic and thermal Enthalpies=            -937.710134
Sum of electronic and thermal Free Energies=         -937.773587
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shenailin(½ð±Ò+2): 2011-04-29 09:17:17
gmy1990(½ð±Ò+1): ·Ç³£¸ÐлÄã¶ÔÂÛ̳µÄ¹±Ï×£¬½±ÀøÒ»Ï£¡ 2011-04-29 11:04:16
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Originally posted by shenailin at 2011-04-28 08:32:31:
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12Â¥2011-04-29 08:03:33
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shenailin

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13Â¥2011-04-29 09:18:27
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