1111_分子模拟_309183
上课期间：从 即日起 到 无限期
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课程介绍
课程资源
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Syllabus
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Chapter 1 Introduction to Molecular Simulation
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Molecular Mechanics (I)
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[錄]Introduction 09131544
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[錄]Install Avogadro software 09131630
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[錄]Using Avogadro software 09131735
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Potential_Energy_Surface(I)
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20220913Lecture
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20220920Lecture
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Dos command
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[錄]Basic DOS command 09271523
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[錄]Molecular Modeling Methods 09271627
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[錄]Molecular Modeling Methods-MM (I) 09271731
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[錄]chemical bonding and VSEPR 10041535
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[錄]chemical bonding and VSEPR(II) 10041628
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Chemical Bonds (I)
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Chemical Bonds (II)
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Chemical Bonds (III)
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Chemical Bonds (IV)
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Chemical Bonds (V)- Valence Bond Theory
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[錄]Chemical Bonding 10111544
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[錄]Chemical Bonding -rearrangement : simulation 10111654
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20220927Lecture
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20221004Lecture
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20221011Lecture
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Exercise_1
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[錄]Chemical Bonding (III) 10181531
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[錄]Chemical Bonding (IV) 10181637
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20221018Lecture
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20221025Lecture
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[錄]Chemial Bonding-22bpy calc. 11011745
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20221101Lecture
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[錄]IR spectroscopy simuation 11151532
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IR simulation
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[錄]IR spectroscopy simuation 11151533
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20221115Lecture
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20221122Lecture
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IR practice1
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IR practice2
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[錄]MO-diatomic molecules 11291540
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[錄]uv spectrum solvent effect 12061528
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20221129Lecture
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20221206Lecture
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[錄]TD-DFT simulation 12131537
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20221213Lecture
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20221220Lecture
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[錄]XAS-simulation 12201534
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[錄] 12271526
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[錄]MD polymer 01031749
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20221227Lecture
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20230103Lecture
教师 / 許益瑞
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