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Zero-point vibrational energyÊÇÁãµãÕð¶¯ÄÜ
Zero-point correction ÊÇÁãµãÄÜ Ò²Ð´×÷ZPVE
HF Êǵç×Ó×ÜÄÜ Ò²Ð´×÷ TE
Thermal correction to Energy ÊÇÄÚÄÜУÕý
Thermal correction to Enthalpy ÊÇìÊУÕý
Thermal correction to Gibbs Free Energy ÊǼª²¼Ë¹×ÔÓÉÄÜУÕý
Sum of electronic and zero-point Energies ÊÇУÕýºóE µÈÓÚTE+ZPVE
Sum of electronic and thermal Energies ÊÇУÕýºóµÄU
Sum of electronic and thermal Enthalpies ÊÇУÕýºóµÄH
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2Â¥: Originally posted by ÈøÎÓÒ° at 2014-11-20 15:44:32
Zero-point vibrational energyÊÇÁãµãÕð¶¯ÄÜ
Zero-point correction ÊÇÁãµãÄÜ Ò²Ð´×÷ZPVE
HF Êǵç×Ó×ÜÄÜ Ò²Ð´×÷ TE
Thermal correction to Energy ÊÇÄÚÄÜУÕý
Thermal correction to Enthalpy ÊÇìÊУÕý
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shenl891

Ìú³æ (³õÈëÎÄ̳)

ÒýÓûØÌû:
2Â¥: Originally posted by ÈøÎÓÒ° at 2014-11-20 15:44:32
Zero-point vibrational energyÊÇÁãµãÕð¶¯ÄÜ
Zero-point correction ÊÇÁãµãÄÜ Ò²Ð´×÷ZPVE
HF Êǵç×Ó×ÜÄÜ Ò²Ð´×÷ TE
Thermal correction to Energy ÊÇÄÚÄÜУÕý
Thermal correction to Enthalpy ÊÇìÊУÕý
Ther ...

4Â¥2014-12-14 20:34:40
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5Â¥2014-12-14 20:35:53
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ÖÁ×ðľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
3Â¥: Originally posted by ¼ÆË㻯ѧÐÂÈË at 2014-12-12 16:20:34
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Sum of electronic and thermal Enthalpies
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6Â¥2014-12-16 14:42:44
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