Physical and computational organic chemistry
CH-431
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Welcome to the moodle of the course Physical and computational organic chemistry
The first (in-person) course will take place on Monday February 17 2025 at 10:15 in BCH3118.
Note that you might not have access to the sector 1 in which this course takes place but Juliette, who is the teaching assistant for this class will be there to give you access.
Recommanded Literature:
- Anslyn, E. V. and Dougherty, D. A. Modern Physical Organic Chemistry, University Science Books, 2006.
- Bachrach, S. M. Computational Organic Chemistry, Wiley Interscience, 2007.
- Smith, W. B. Introduction to Theoretical Organic Chemistry and Molecular Modeling, Wiley-VCH 1996.
- Cramer, C. J. Essentials of Computational Chemistry Theories and Models, 2nd edition, John Wiley & Son 2004.
- Chapter 2: Thermodynamic stability of organic molecules (File)
- Table: Benson Increments (File)
- Conjugation-chemical equations (File)
- Chapter 4: Aromaticity (File)
- Article Journal of Organic Chemistry (File)
- Quiz of the month 1 (File)
- Cyclopropane (File)
- Benzene historical (File)
- Huckel annex (File)
- guidelines for the presentation (File)
- Literature presentation (File)
- Paper Presentation Group and Paper choices (URL)
- Chapter 6: Pericyclic Reactions and Tools to determine Reaction Mechanisms (File)
- Quiz of the month 2 (File)
- Hammett constants (File)
- Secondary isotope effects: reverse and normal (File)
- Literature KIE for BH3 reduction (File)
- Character Table C3 (File)
- Paper Presentations - Finalised schedule (URL)