Thanks, i´m taking a look on them. But all of those visualization programs appear to be for molecular rendering (proteins). I don´t need bonding, surface rendering, charge densities nor any calculations ...
I just need "spheres in space" but lots of them. Thank you very much anyway.
Hi,
I´ve just started in atomistic simulations, so I need some advice please. I´m simultaing a fcc cubic structure using a standard Verlet algorithm. I´ve already got the trayectories and I need to render the atoms and make a presentation.
I just need simple spheres in space, not...
Hello,
That wolud be only in the case that there aren´t any interactions between both of the species in the mixture. Probably the energy levels of the species would became shifted by the presence of each other.
There also can be energy transfers between different states of the species. That...
Mark-Houwink-Sakurada constants - HELP!
Hi!
My local libraryes are closed theese days and I need the Mark-Houwink-Sakurada constants ("K" and "a") of poly(methyl metacrylate) in 1,2-dichloroethane urgently! :rolleyes:
Does anybody know if i can find them online? where? Or does...
Be patient, those models you are studying now are inaccurate but will help you to understand "pure quantum" chemistry methods. Anyway, if you can´t stop your curiosity, congratulatins!. I recommend you Ira Levine´s Quantum Chemistry (with another book of introduction to QM that you choose)...
Quantum models describe their behaviour. Molecules are systems of particles, electrons and nuclei. Classical laws failed to describe them a hundred years ago.
Excuse my English, I meant "sticky thread"
A sticky thread is a tread that remains everytime in the first place of the queue, for example Monique´s "chemical laTEX typeset" thread in this section. Moderators post them as a note for everybody to read them.
Only moderators can post them, as...
OOps, I´m sorry chem_tr, I was writing my post and I didn´t see that you had already posted. I agree with you.
But just a note, it theese cases, maximum absorbances of acid and basic forms can be different (at the same total concentrations). That´s just because "epsilon" coefficients of...
Density would be determinant too, don´t forget that hidrostatic pressure=density*g*h
Viscosity is a direct macroscopic consequence of intermolecular interactions. Remember for example that viscosymetric measures are used in polymers to experimentally obtain molecular mass averages.
Yes, that is one of the explanations that has been given to this paradox. Anotherone is that the demon would require energy to "measure" the speed of the molecules. The action of measuring would also modify the molecule´s energy.
The paradox is based in a completely classical model, and...
Hi,
Slater introduced the concept of "effective nuclear charge" in his try to obtain analytical and easy to integrate orbital wavefunctions. This parameter must be obtained empirically and is tabulated for each atom and shell.
In order to work in a very approximated way he developed the...
Perhaps in your case the reason is to avoid the sample reabsorbing water (hot things that are getting cooled tend to absorb water). And you´re working with an higroscopic salt, so the cooling must be done in dry atmosphere before measuring.