GaussView 6 Tutorial 2: Running Jobs
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5 سال پیش
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Learn the basics of setting
Learn the basics of setting up and running Gaussian jobs with GaussView 6.
0:06 List of Gaussian 16 jobs
0:26 Single point energy
# B3LYP/6-311+G(2d,p)
2:22 Geometry optimization
# B3LYP/6-311+G(2d,p) OPT
3:14 Optimization + frequency
# B3LYP/6-311+G(2d,p) OPT=CalcFC Freq=VCD
3:54 Population analysis
# B3LYP/6-311+G(2d,p) Pop=(Full,NBO)
5:15 Solution phase
# Opt B3LYP/6-311+G(2d,p) SCRF=(Solvent=Acetonitrile)
6:07 More information
5 سال پیش
در تاریخ 1398/06/15 منتشر شده
است.
205
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