Tuesday, January 30, 2007

MO Diagram of Propene & Benzene

The day began with me sitting in for a module on Pharmacology & Toxicology. I intend to audit this module but decide not to as the lecturer is basically reading from the slides. Yawn. I am turned off even more when he said to the class that there is no need to read the reference textbook; whatever they need to know in the exams are in the powerpoint slides! What the heck! This deviates so far from the Life Science standard in NUS. Duh.
Anyway, I learnt some basic computational calculations from my senior XH today. He is really patient in guiding me as I am basically a computer idiot. I realized that I need to adopt to a completely new platform known as Linux. It's pretty tough for a start but I got the hang of the starting part at the end of the day. It's quite interesting as it demostrates how experiments and theory agrees well. My greatest achievement today is to calculate the MO of propene and benzene. The main ones are shown below:
HOMO & LUMO of propene:

Main MOs of benzene:

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