May 31, 2007 at 3:36 pm (Gaussian)
GAMESS is free distributed software for ab initio and DFT calculation. It is also known as Gaussian competitor. As some of us have ‘alergi’ to unix system, the win version is always needed. So, here the address of GAMESS US version (but already modified by Russian).
http://classic.chem.msu.su/gran/gamess/
Someone said it could be faster than unix version for example for large memory jobs.
May 31, 2007 at 3:28 pm (General chemistry, Physical chemistry)
Theoritical chemistry is a broad science. It requires some understanding, not only chemical knowledge but also mathematical and physic (mostly). In this point, it will be so difficult to make a clear border line between chemistry or physic. Some are much concern to mathematical and its derivation and property while the others more in physic and chemistry. Dealing with theoritical chemistry will require stong basic knowledge of those three subjects. Here, some references that you can use: Read the rest of this entry »
May 31, 2007 at 12:39 am (General chemistry)
Benzene (C6H6) is known as the most famous aromatic (cyclic) hydrocarbons. It could be famous because of its structure which is cyclic or due to its stability compared to others hydrocarbons (benzene is more stable than other hydrocarbons). As it is categorized as organic compaund, benzene can be treated by common organic reaction, e.g. nucleofilic attact, substitution reaction, dehidrogenation, and so on. It is also hydrophobic (Greek: water afraid) molecule but less hydrophobic than other organics.
Currently, chemists know very well about this molecule but benzene itself has a nice history how people try to explain this molecule. Since it was found for the first time, benzene was known has un-ussual structure. Read the rest of this entry »
