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a-b-c

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%chk=TS
%mem=6MW
%nproc=1
# b3lyp/lanl2dz

energy calculation of TS

0 1
Hg
Cl 1 2.452
O  2 2.654  1 175.9
H  3 1.017  2 80.54 1 0.32

ÆäÖÐ
Cl 1 2.452
O  2 2.654  1 175.9
H  3 1.017  2 80.54 1 0.32
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ykwang

½ð³æ (ÕýʽдÊÖ)


a-b-c(½ð±Ò+1): 2010-11-18 12:20:11
ÓÃGaussView´î½¨ºÃ·Ö×ÓÄ£ÐͺóGaussView×Ô¶¯¼ÆËã³öÀ´µÄ¡£
2Â¥2010-11-17 16:42:55
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a-b-c

Ìú³æ (СÓÐÃûÆø)


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Originally posted by ykwang at 2010-11-17 16:42:55:
ÓÃGaussView´î½¨ºÃ·Ö×ÓÄ£ÐͺóGaussView×Ô¶¯¼ÆËã³öÀ´µÄ¡£

лл
3Â¥2010-11-18 12:21:29
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hexinchem

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)


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4Â¥2010-11-18 13:23:17
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LuPeng5366

гæ (ÖøÃûдÊÖ)


Gaussian View
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