AskChemReddit: Can you recommend any software for simulating chemical reactions?

ZetaFish · 1 year

I've had good luck with this book with students who I tutor, but the cost is a little prohibitive (as is the case for most textbooks).

A little bit of googling lead me to this site, which seems like it might give you the basics you'll need to get started thinking about chemical systems. It's a free online textbook, so the price is right if nothing else.

ZetaFish · 1 year

As far as I know (and I'm going to grad school in chemistry next year), there is no general formula that governs how a reaction will proceed. There are a lot of factors to consider such as the energy of the reaction, the sterics (a term which covers the geometry and proximity of atoms) and how the electrons are taken or shared by the components of the reaction. The interplay of these factors can complicated in a hurry if you're trying to learn them all at once.

I would recommend that you try to get your hands on an introductory chemistry textbook so you can get a taste of some of the factors involved in practical chemistry, like basic thermodynamics and how to determine solubility. There are also some online lectures available that you might find interesting.

ZetaFish · 1 year

I don't believe that we have developed software that can predict arbitrary reactions based on starting materials and conditions. Such a program would be a really big deal within the chemistry community, so I'm pretty sure that I haven't simply missed the announcement.

What sorts of reactions are you interested in? I may be able to point you towards some reading materials that would satisfy your curiosity.

ZetaFish · 1 year

Are you asking about software that would predict the products of an arbitrary reaction?

bbyckz · 2 years

You should review statistics if you haven't had it recently. Analytical chemistry is stats heavy, so being fluent in t-tests and p-values will help immensely.

njhdunn · 2 years

Yup, the same sorts of aerogel materials used for insulation can be used as catalysts or catalytic supports for gas phase reactions due to their high surface areas.

Thanks for the list of online courses, though I think I'll enjoy them more than my girlfriend will. She's already using Wikipedia, but it would be useful to have some resources that step back and take a broader view without as much technical jargon as you find on many Wikipedia science pages.

And I'm with you, why spend money on books when you have access to a perfectly good library?

njhdunn · 2 years

These look really useful, especially the Joy of Science lecture series. The only problem is the price, but it might work as a late Christmas/early birthday present. Thanks!

Veidt_Industries · 2 years

If the color screen can become a fullscreen keyboard, I'm sold.

violentacrez · 2 years

I'm almost positive this is intended to be Schrödinger's cat.

something345 · 2 years

I also have trouble getting off during sex sometimes. I find that stopping thrusting for 30 seconds or so and then starting up again helps, even if I have to repeat the process a few times. Make sure you're not interrupting your partners build-up to orgasm by doing this, though.

catflaps · 2 years

How about we just agree never to masturbate in the same position?

njhdunn · 2 years

Until just now I would still check for the occasionally entertaining silly, but even those are drying up. I have followed your lead, sir, and I don't think we'll be missing anything.

catflaps · 2 years

To my computer chair. I've never been in the habit of masturbating in bed, to the point that it's tough for me to get myself off lying down. To each their own, I suppose.

catflaps · 2 years

I masturbate every night before bed, and first thing every morning. It helps me sleep, and gives me compelling reason to get out of bed.

GoatseMcShitbungle · 2 years

Here's mine.

I have about three inches of mustache per side hidden in there somewhere, but I couldn't get it to behave for the camera this morning. Here's a less recent picture that shows the mustache.

*edit: punctuation

njhdunn · 2 years

I wish! Thanks for sharing.

njhdunn · 2 years

Can't say that's ever happened to me, though I may start doing it myself now that you've planted the idea.

njhdunn · 2 years

I do wax occasionally, but I tend to pull it out straight into points rather than curl it. In this way I can make my mustache visible from behind.

Unfortunately, I have neither a top hat nor a cane. Someday, perhaps.

Phrack · 2 years

I'm a fan of this concept. I'm actually surprised this app doesn't already exist in one form or another.

I'm not sure about the icon, but integrating the imgur "i" somehow would be appropriate.
The link display screen looks functional (i.e. easy copy and paste), but you're right that it could use a little something. Maybe some buttons for distributing the link, or access to a list of the the last few generated links would work.

I look forward to a future post announcing the release of this app.

njhdunn · 2 years

A little crazy.

njhdunn · 2 years

Life is an troll.

klobbermang · 2 years

I thought today's was quite comical.

ezrabinirib · 2 years

Another vote for Jump Ultimate Stars. It's a very rich fighter for the DS.

daemin · 2 years

Yeah. The part about not allowing abortions when the father is unknown highlights the spirit of the bill quite nicely. It's not about giving rights to the father, it's about taking them away from the mother.

njhdunn

TROPHY CASE

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