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美國Gaussian公司第二屆中國培訓(xùn)班(課程表)
Day 1: Monday, August 18, 2014
9:00 Opening remarks by Professor Wei-Hai Fang,
Welcome & Introduction by workshop instructors
9:40 Potential Energy Surface
10:00 Geometry Optimization I: Min
10:30 Vibrational Spect & Thermo
11:00 Coffee Break
11:20 Geometry Optimization II: TS
11:50 Hartree-Fock
12:30 Basis Sets
13:00 Lunch
14:30 Lab
Day 2: Tuesday, August 19, 2014
9:00 Dynamics & Rxn Paths
9:30 Electron Correlation
10:20 DFT
11:00 Coffee Break
11:20 Semi-Empirical & MM
11:50 Wavefunction
12:20 Model Chemistry
13:00 Lunch
14:30 Lab
Day 3: Wednesday, August 20, 2014
9:00 ONIOM
9:50 Input Files I
10:20 Output
11:00 Coffee Break
11:20 NMR
11:50 Chiroptical Spect
12:30 Optical & UV Spectra
13:00 Lunch
14:30 Lab
Day 4: Thursday, August 21, 2014
9:00 Solvation
9:30 SCF Conv. & Stability
10:10 Input Files II
11:00 Coffee Break
11:20 Utility Programs
12:00 CASSCF
13:00 Lunch
14:30 Lab
Day 5: Friday, August 22, 2014
9:00 PBC
9:30 Resources
10:30 Summary
11:10 Q & A