Chemical Forums
Chemistry Forums for Students => Physical Chemistry Forum => Topic started by: Ingeniosuccinimide on October 06, 2015, 09:14:21 AM
-
I'm majoring in analytical chemistry soon. I have no knowledge in computational chem, and I had no comp chem or quantum chem subjects during my BSc/MSc studies, just ordinary physical chemistry.
Since I'll have some free time after I complete the studies, I'd like to self-teach myself about comp chem methods out of pure curiosity and run calculations myself, with emphasis on chemical kinetics, dynamics and docking.
One grad student doing research in comp chem provided me free access to their institute PCs with Spartan, Gaussian, Gamess and Sybyl on. However, he has no time to teach me anything. ;D
What is the best way to start learning comp chem? Which textbooks and online resources (apart from user guides for the programs mentioned) are the best to use for complete noobs?
Which of these available software packages are most suitable for chemical kinetics, dynamics and docking calculations?
-
I have no idea about self-teaching, i was really glad I had guys teaching me....
chemical kinetics, dynamics and docking
maybe start with Hartree-Fock. Computational Kinetics is extremely difficult if not impossible (the guys working on it would probably see this differently...)