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| MOLECULAR MECHANISMS | SEMI EMPIRICAL | AB INITIO |
| VERY FAST | FAST | SLOW |
| PARAMETER RESTRICTION | GOOD ACCURACY | VERY GOOD |


| MOLECULAR MECHANISMS | SEMI EMPIRICAL | AB INITIO |
| VERY FAST | FAST | SLOW |
| PARAMETER RESTRICTION | GOOD ACCURACY | VERY GOOD |
| NO | TOPIC |
| 1 | Introduction of SMILES |
| 2 | SMILES Bonds |
| 3 | SMILES Branches |
| 4 | SMILES Atoms |
| 5 | SMILES Charges |
| 6 | SMILES Cyclic Structures |
| 7 | SMILES Conventions and Restrictions |
| 8 | SMILES Fragments |
| 9 | SMILES Metals |
1)


4)
| Part 1 | Beer's Law Plot |
| Part 2 | Titration |
| Tutorial 1 | the percentage injured p against the temperature |
| Tutorial 2 | the number of new housing starts per year |
*orbitals,p orbitals and Pi orbitals