 Hello, this is Professor Steven Nesheva and I'm here to help you out with getting started with some spartan calculations and after you launch spartan, you can go over here to what's called the the the new builder icon you click on it and This appears on the right and the organic tab is what we want and the first thing that you'll be doing is doing stuff with with water with two ox water and To do that you click over here, and I can make it bigger or smaller by scrolling the trackpad and Moving it around now for this first part of the exercise actually I want several water molecules So all I'm doing is double-clicking in there, and then What you can do is do the molecular mechanics minimization Which is which is that little green guy and I also want you to turn on and hear this model Tab and it turns on hydrogen bonds this way. Okay, so there's that now I'm gonna want to have more water molecules and Every time you add some you can just do this and click on that minimization And you can start to see how it forms this hydrogen bonding network And when you want to go do the same thing with methane you click on here for another new build and that's There on the on the right. That's the that's the methane And you can do the same thing. I'm just double-clicking here. You can still turn on Hydrogen bonds, but you'll see that nothing ever shows up, but you still do want to do the minimization Just like that. All right, and so that's the general idea The next thing that you're gonna be doing is well once again We're gonna go back to water and just but only one wall water molecule I'm gonna click on it there and The first thing that we'll do is we're gonna go to calculations and So I'm gonna click that and we don't want Hartree-Fock. We want B3 lip and you press submit there And in just a moment it will it will Start the calculations. You have to decide where to where you want to save it so I'm just gonna let it save there and Hopefully it will all come back in just a moment and say that it's done and Soon as it is done. There we go It's it comes back and says that now what we're gonna be when I'm looking at is surfaces So that's the surface icon. I want to go to density first. You see the little box shows up and there it goes So now there's there's water as a as a van der Waals surface But to look inside it what you got to do is sort of click on it until this thing shows up on the right And we can do transparent. All right So now we're looking at the size of a water molecule a second thing I'm gonna want you to do is to go to the surface again and Add an electrostatic potential map which we then have to turn off the density to look at it So that's now what we're looking at and if you want to look at it inside We do the same thing go to transparent and so forth. Okay, so now the the last bit of calculation that I'm gonna want to what you to do is to I need to click off here off-screen not like that but off and Go to this thing called properties and when I do that if I display the dipole vector Then it shows up and I can see how how the dipole vector which points from positive to negative parts of the molecule