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linbin1990

Í­³æ (СÓÐÃûÆø)

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     vibrational frequencies
  mode     au_amu        cm-1         meV         THz
    1   -0.055135      -283.4      -35.14      -8.497
    2   -0.054818      -281.8      -34.94      -8.448
    3   -0.052776      -271.3      -33.64      -8.133
    4   -0.052431      -269.5      -33.42      -8.080
    5   -0.028420      -146.1      -18.11      -4.380
    6   -0.028416      -146.1      -18.11      -4.379
    7   -0.023800      -122.3      -15.17      -3.668
    8   -0.023795      -122.3      -15.17      -3.667
    9   -0.023709      -121.9      -15.11      -3.654
   10   -0.023707      -121.9      -15.11      -3.653
   11   -0.023324      -119.9      -14.87      -3.594
   12   -0.023317      -119.9      -14.86      -3.593
   13   -0.021989      -113.0      -14.01      -3.389
   14   -0.021987      -113.0      -14.01      -3.388
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zsl_321123

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linbin1990

Í­³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
2Â¥: Originally posted by zsl_321123 at 2014-03-24 19:26:50
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Becausethepeoplewhoarecrazyenoughtothinktheycanchangetheworld,aretheoneswhodo.
3Â¥2014-03-24 21:01:26
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linbin1990

Í­³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
2Â¥: Originally posted by zsl_321123 at 2014-03-24 19:26:50
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ÎÒÔÚDmol3 propertiesÖй´ÁËfrequencies ,ÏÖÔÚ¼ÆËãºÃÁË £¬ÎÒÏëÄܲ»ÄÜ»­³öºìÍâ¹âÆ×ͼ¡£Õâ¸öÎÊÌâÎÒÒ²²»¶®£¬¿ÒÇë´óÅ£½Ì½ÌÎÒ
Becausethepeoplewhoarecrazyenoughtothinktheycanchangetheworld,aretheoneswhodo.
4Â¥2014-03-24 21:01:32
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linbin1990

Í­³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
2Â¥: Originally posted by zsl_321123 at 2014-03-24 19:26:50
Ö÷ÒªÎÊÌâÕâ¸öÊǺìÍâ¹âÆ×Âð£¬ÔõôÅжϣ¡

ÎÒÔÚDmol3 propertiesÖй´ÁËfrequencies ,ÏÖÔÚ¼ÆËãºÃÁË £¬ÎÒÏëÄܲ»ÄÜ»­³öºìÍâ¹âÆ×ͼ¡£Õâ¸öÎÊÌâÎÒÒ²²»¶®£¬¿ÒÇë´óÅ£½Ì½ÌÎÒ
Becausethepeoplewhoarecrazyenoughtothinktheycanchangetheworld,aretheoneswhodo.
5Â¥2014-03-24 21:02:12
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hongsemenghuan

ľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
5Â¥: Originally posted by linbin1990 at 2014-03-24 21:02:12
ÎÒÔÚDmol3 propertiesÖй´ÁËfrequencies ,ÏÖÔÚ¼ÆËãºÃÁË £¬ÎÒÏëÄܲ»ÄÜ»­³öºìÍâ¹âÆ×ͼ¡£Õâ¸öÎÊÌâÎÒÒ²²»¶®£¬¿ÒÇë´óÅ£½Ì½ÌÎÒ ...

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