RonPaul2012 - 11-3-2012 at 06:29
I am looking for a 3d chemical model software.
I have tried a few already but most of them are very nonlinear and hard to use.
I am looking for a program that I can set up my syntheses and log them when I'm done.
Also are there any programs that will allow you to use the VSEPR theory ?
I want a program that goes in depth with 3d chemical structure , not just some 3rd grade ball and stick deal.
in short I want what the "PROS" use.
neptunium - 11-3-2012 at 07:14
did you try chemsketch? its free you can build your own molecule, and it can also predict some physical properties.
it can run stand alone or with the internet.
RonPaul2012 - 11-3-2012 at 07:40
Is this what you use ?
I am very interested .
Please , post other programs
[Edited on 11-3-2012 by RonPaul2012]
arsphenamine - 11-3-2012 at 07:46
The "PROS" pay for them out of grant money or the company research budget.
$1000-5000 gets you an integrated application suite with a freedom from peculiar defects.
Gaussian with GaussView is a common choice, Spartan is another.
Student versions of the same programs are usually crippled and a waste of the 50-$100. I hold up Spartan for particular obloquy here.
Since I'm doing research on a very small budget, I sought out applications programs that were either free for downloading or free for the asking if
intended for non-profit academic use. There are some good ones.
For facile 3D molecular force field modelling, I use Avogadro.
It also generates input files for GAMESS-US and MOPAC, which compute molecular orbital geometries and hypothetical
spectra.
Their outputs may be visualized using MolDen.
For VSEPR computations, look up VB2000. Much of its functionality is included in the Windows version of GAMESS-US.
If you simply wish to log your reactions, ChemAxon is a good bet.
bfesser - 11-3-2012 at 08:02
I use <a href="http://www.cambridgesoft.com/software/chembio3d/" target="_blank">ChemBio3D</a> from CambridgeSoft (now owned by
PerkinElmer Inc.). I have a full version from my time at the <a href="http://www.chem.umn.edu/" target="_blank">University of
Minnesota</a>, but they offer a 2-week trial version.
[Edited on 3/11/12 by bfesser]