 So, good afternoon all. I am Snehalatha, Senior Research Scientist, FOSSI Project IIT Bombay. On behalf of the FOSSI team, I welcome you all to this webinar on web-based resources for teaching and learning chemistry, Atomic and Molecular Visualization for General and Inorganic Chemistry by Professor Robert Hansen. So, he is already here. So, good afternoon sir and welcome to this webinar. Thank you. So, let me go through a few general instructions for you all. So, kindly keep your mic on mute throughout the presentation. So, if you have any query, please post it in the chat window. FOSSI team members will answer them. The presentation by Professor Hansen will be for approximately 15 minutes. So, at the end of the presentation, there will be a 15 minutes question and answer session. So, which Professor Hansen will answer them. So, kindly post your questions in the chat window. Or you can also send an email to eOutreach or contact HyphenSoul. So, all the slides presented during this talk will be uploaded at the NME ICT website after the webinar. And we will also give you feedback link in the email. So, your feedback is very important and valuable to us. So, kindly fill the feedback form and submit after the seminar. So, Professor Kannan, who is the Principal Investigator of the FOSSI and the Spoken Tutorial Project is also here. Good afternoon, sir. Yeah, so he will be formally introducing Professor Hansen to you all. And also he will talk about the FOSSI and the Spoken Tutorial Projects briefly. So, after that Professor Hansen will start his presentation. So, in today's presentation, he will talk about the general and inorganic chemistry, such as he will take a few examples of Lewis structures and the web-based resources for that particular topic. And he will talk about atomic orbitals, molecular orbitals, molecular shapes, kinetics, like orders of reactions and all and point groups and a few crystal structures. So, all these actually, there are many today's webinar. There are many participants who are the higher secondary school teachers that this PGT is. So, it will be very useful for them. And the second webinar, which will be on the next Thursday, that is 22nd, he will talk about the 3D organic structures visualization and software involved and the web pages he has made on these topics. Then, confirmations of organic compounds, you all know the butane cyclohexane and a lot of other examples he will be talking about. Then, stereochemistry, isomerism, NMR spectroscopy in relation to the chemical structure and organic reactions and molecular orbitals. So, all these topics, they are mostly aligned to the NCRP class 11 and 12 curriculum, which is mentioned in their website. And all the principles that are there for the 11th and 12th standards will be discussed in these webinars. And he will talk a few examples of for each topic, like for example, for conformational analysis, I'm sure there are butane and cyclohexane examples and for stereochemistry, R and S configurations. And not sure if NMR spectroscopy is there for 11th and 12th, but definitely at the undergraduate level, it's definitely there. So, he'll talk about that and even the point group symmetry. So, you are sure you can recognize all these textbooks. There are 11th and 12th standard in CRT chemistry, part one, part two. So, yeah. So, most of the examples he'll talk are from this. And if you want to get involved, like if you want to contribute for the web pages or you want to create your own web page and learn how to do it, you can send an email to us contact-sol at foci.in. So, we'll get back to you. So, thank you. I think over to you, Professor Karan actually for the introduction. Yeah. So, thank you, Dr. Snegalatha Kalyapan for a brief introduction to the seminar series, the background, how we are going to go ahead and so on. There are almost 200 people now. So, I think we should, it's the right time to introduce Professor Robert Hansen. The short form for Robert is Bob. Many people in India may not know. So, you will see on this window, it appears as Bob Hansen. Let me give you a first brief background to how we even got to know Professor Hansen. And then I'll introduce him. We have a project called Spoken Tutorials at IIT Bombay. And in fact, Snegalatha has been a senior researcher in that she has created a lot of tutorials she and her team. She leads the school team or science team. And there are lots of topics. I'll show you what these are. And Spoken Tutorials are 10-minute-long audio-video tutorials. Although we call them Spoken, they also have a video component and created for self-learning, dubbed into our languages and usable offline. And we have trained a really a large number of students and teachers using these videos. One day, apparently, doing a random search, Professor Hansen came across our material and he wrote to us, hey, what's happening? And then we got in touch with him. And then I let Snegalatha to go after Professor Hansen. And what followed was Professor Hansen visiting IIT Bombay. He came here as a visiting professor. And then it was an amazing experience. The way he handles molecules is almost like a mechanical engineer going and looking at it, but accepted the molecular level. It's an amazing experience. I was just telling him that if only we have more interactions with him, the interest in science will go up at least 10 times amongst our students. So I invited Professor Hansen to continue to be in touch with us. Let me give a brief background to Professor Hansen. Dr. Robert Hansen has been a professor of chemistry at St. Olaf College in Northfield, Minnesota, USA since 1986. He received his bachelor's at Caltech PhD in Columbia, all in chemistry. He did a postdoc at MIT for two years. Professor Hansen received several awards, Fulbright Specialist Grant from the US government, NSF Presidential Young Investigator Award, NIH Research Service Award, NSF Predoctoral Fellowship Award and so on. He has a patent for the Sharpless Symmetric Epoxidation, a widely used method in organic synthesis. He has published widely in the areas of chem informatics, bioinformatics, computational material science and chemistry and physics education. He is the author of two books. Let me see whether I can look at this. Here is the first book. I don't know whether you can see the book. Yes, we can see. Molecular origami precision scale models from paper. And the second one, introduction to molecular thermodynamics. Professor Hansen is the principal developer of Jamol, an open source project dedicated to interactive molecular visualization and analysis. He is the sole proprietor of integrated graphics, specializing in the design and implementation of interactive molecular graphics for education and research. Professor Hansen is the chair of the IUPAC fair spec project, currently developing a standard for the fair FEIA, findable, accessible, interoperable and reusable management of spectroscopic data in chemistry. What I will do is I will take one more minute to talk about the FOSSI project that is that is hosting Professor Hansen and then I will hand over the mic to Professor Hansen. As you all know, the title of today's webinar is molecular visualization for general and inorganic chemistry. I told you about Spokane tutorial project. There is another project called FOSSI, but I don't know whether I can share my screen. Let me see if I can share my screen. So this is our FOSSI.IN page, free and open source software for education. And we have this our beloved president, Dr. Abdul Kalam, who makes a statement about why we should use open source software. This project promotes several open source software systems, PsyLAB, Python, ECIM, OSDAG, DWCIM, OpenForm, OpenModelica, OpenPLC, Floss Arduino, single board data system, R, QGIS, Focal and Sol. I don't have time to go through even to say what these other software systems are because of lack of time. But this Sol stands for science, open source software for teaching learning. It's a collection of ICT software that can be used as teaching learning tools by the community of educators and the learners to teach, learn the basic as well as the advanced concepts in science topics. So it's very easy to locate this webpage, fosse.in, free and open source software for education. So once you go there, you will see lots of information. If you click this Sol, then it'll take you to the page dedicated to this activity and Dr. Srinath Akaliapan actually is in charge of this. And of course, we have a web team that helps us build this page. And it is also possible for people to contribute in this. For example, here it is science and concept map projects. And so that is one. So if you click here, it'll take you what are these science and concept map proposal form. Here are computer projects. You can see what are the computer projects and who submitted. So these are all IIT Bombay people, but we welcome all of you, especially the school teachers also to contribute and your name will come here. And if you click here, supposing I click here, so it gives details of the person who created this. In this case, it is Dr. Rani Parvati. So if it is you, then your name will appear, then you can give this URL to anybody. It could be useful in your assessment and or you may want to share this with your students and download abstract, download science and concept map. So these things are accessible. So this is the concept map project, but there can be other projects also. And how to participate in that is given here. The procedure is here. If you click this, the procedure comes and submission guidelines are here. So I welcome all the people. I see that the number has already gone to almost 250, which is a fantastic thing. Normally at IIT, only one-third of the people who registered show up. Here it is more than 50%. In fact, almost 35% of the people have come here. So I believe it's an amazing turnout. And with that, I'm going to let me stop sharing the screen first. Okay. And so as all that information is already available in fosse.in, I urge all of you to keep looking at that page for announcements in case our emails don't reach you. We do send out emails. We do send out emails to all people who register in our courses, but sometimes it may go into the spam folder. You may not see them. So please monitor this page. And there we will have links to all the spoken tutorials. Remember, I told you about spoken tutorials at the beginning. We have conducted many workshops. In fact, Dr. Snegelatha's team has conducted many workshops in the past and future workshops will also be announced. And the tutorials, if any made, will also be available through this link. fosse.in and go to S-O-U-L. That is the software. So with that brief introduction to the background projects, namely fosse and spoken tutorial that are hosting Professor Robert Hansen, I invite all of you to this webinar. And I invite all of you to make full use of it and take interest. And in case you have any questions on the, in case at the end of the talk, Professor Hansen, I mean, there is not sufficient time. Professor Hansen is not able to answer all your questions. Or if you have some other questions that you don't want to ask here, for example, you have questions on how to participate in these projects, which may not be relevant to Professor Hansen's topic per se, you can write to us. And then Dr. Snegelatha will give the contact email address or the link to this webpage, so that it is easily accessible to all of you. I welcome all of you to participate, contribute. I welcome your students also to, some of you might have really bright students, and please do ask them to join. We have a limit of 500 people who can join. There are only 242 people today. We could have accommodated another 258 people today. So I do feel free to come to the next one. It's an amazing thing. Also make available this video to all your students who knows, as I told you earlier, 10 times the number of students may become scientists if not chemists. So with that brief introduction, I welcome Professor Hansen to deliver this amazing webinar. And we are all anxious to hear you. Thank you, sir. It's a great pleasure to be here. Welcome from Minnesota in the center of the United States. It's a beautiful late summer day here early in the morning for me, but I will do my best to present this in a way that is understandable and followable. I want to point out that all the slides that you see today with various links will be available on the FASI website later, and that you don't have to write down any of these links. I'll be using my PowerPoint as a starting point and then firing off to various web pages. And these are all publicly available, easily accessible websites. I've picked six today that relate to the class 11 and class 12 curriculum primarily, going a little bit beyond that in some cases, into some more undergraduate level. I know there are many teachers here, very, very, very happy to be able to interact with high school teachers of India. This is very special for me. And also many, I think, college undergraduate teachers and several students. So welcome, students. It's your future here that we're talking about. So the other point I want to add to what Professor said was that Jamal itself, that I have been working with, is an open source project. It's a community driven project. So when people have ideas for web pages or capabilities, that's how we grow. And there's a wonderful list of people who contribute to Jamal and discuss Jamal if you want to get involved in anything like that. Please feel free to let me know and I'll get you in the right direction. It really has been a wonderful project that I have worked on for about the last dozen years. And it's, I think you'll see the kind of creativity that can be generated by this tool. And we're actually going to start with something that doesn't have to do with Jamal, but it's a favorite little web page that I made many years ago and is still used quite a lot. And if you are teaching that entry level chemistry, where students are just learning about Louis Stott structures and how to draw molecules and the bonding distance, I think you'll like this website. So we'll just start with a little very, very, very simple website that doesn't use any real molecular visualization at all. Okay, so, but today I'm going to show you a very simple site, Louis Stott structures that we have here. A nice site that was a collaboration that I did with a group at another university on atomic orbitals. We'll look at a website that has almost a thousand molecules, which I call cool molecules, because I just think they are so cool. And how you can use those and even for some of them fold paper models to to hold in your hand that are scale models of these actual structures. Those are all experimental structures, which is a little bit unusual in our world, you know, we usually idealize things. What's the angle in a tetrahedron? 109.5, but really that's just for methane. Plenty of other tetrahedral molecules have shapes that are not exactly tetrahedral, ideally tetrahedral, but we still call them tetrahedral. And so this website with molecular shapes gets us a little bit more into the actual structures that are out there. I'm going to share with you a site about kinetics, and I won't have time to explore it very much just to pique your interest a little bit, because this is a site that has lots and lots of possibilities. If you teach kinetics with graphs and data, it has a capability of simulating kinetics experiments and really getting the students thinking about how you how you handle this data and what it really means. We'll play with that a little bit. I hope we have time for that. Hope we don't run out tonight. And then point group. I don't think that's something that's really discussed at the class 11 and 12 level, but I know there are people who are interested in that. We sent out a survey prior to this, and a lot of people said they were interested in seeing something a little bit about point groups. So actually, because of that, I wrote a website just a couple of weeks ago specifically for this webinar, and I want to show it to you and see what you think. I would love to have some feedback for those who do some teaching or learning relative to point groups how you like it. You will be the first to have seen this website, I believe, pretty much, and I'm very interested in feedback. It's all a living process, so what it is now may be different two weeks from now if people say they have great ideas, that would be terrific. And then a website that's a little similar to it for crystal structure, which does directly relate to the class 12 unit 1 curriculum item, which is a solid state, and how we look at crystal structures, even at a very basic level. So that's the scheme. We'll start with the Lewis dot structures. So the web page is called construct a Lewis structure, and basically this site has about 40 molecules loaded into it and a very crude sort of depiction of them that allows you to build Lewis dot structures. And students who are doing that can play all they want and see how it works. It has a little tally box at the bottom that tallies up how many electrons you have and whether it's all adding up correctly. And here's a you notice here a little box that says still needed. If you haven't put in the lone pairs yet, it'll tell you you need some electrons here. And then you can check it and I'll show you how you can show resistance. So here we go. First one, construct a Lewis structure. This is the website. We're going to pick a compound, quite a good list here, sort of covering the basic compounds that students might learn in an introductory course in chemistry. As you can see, let's see, what should we do? How about carbonate ion? It will start with the sigma hybridization, the single bonds connected. We don't need students at this in this site to be able to try to put all the atoms together correctly. We're just going to start with that connection. But the question is, what do you want to do about double bonds and lone pairs? And so we might say, well, I think there should be a double bond here. But beyond that, I can't put another double bond of carbon and that would go to five. So I can't really put any more double bonds here. But I sure need a lot of lone pairs because it says down here, I need 16 electrons. So what am I going to do? I'm going to start pointing to atoms and saying I need some lone pairs around here. We just went to still needed zero and everything's good. And there you have it. That's the carbonate. Now, if you're familiar with these Lewis dot structures, you know that they're not really adequate for describing the full characteristics of a structure, are they? Because all these oxygens are the same. They're not really different. And this is just one of the several representations. So one thing you can do here is have it cycle through the various resonance contributors and give a better sense of what's really going on in that molecule. Actually, they share the minus charges. No particular oxidant is more negative than the others, isn't it? In this. That's it. That's just it's just a little website. It has a little description on the left of how you might create these. And that was what that's for. Big topic in introductory chemistry is orbitals. And atomic orbitals in particular are challenging for students because of the mathematical shapes that are involved and the quantum numbers and getting a handle on what all this means. And some years ago, I got interested in thinking about orbitals in terms of probability. One of my other books that professor didn't mention there is a introduction to molecular thermodynamics, which comes at thermodynamics from a probabilistic point of view, from a statistical point of view, from a natural point of view of random sort of chance. And that goes for orbitals as well. You probably know that these orbitals we look at are really interpretable as probability distributions where we could find what's the probability of finding an electron in a particular place around the atom. And we built this website to emphasize that and try to show the relationship between these representations. Up in the left, you see the quantum numbers that we can have. And so n equals one, n equals two, n equals three, l and m. Can't go higher than two, can we? And we can't go less than minus two. So it builds into the site the restrictions that we know and love for our various orbitals. But the interesting thing is that it displays it in a way that you may not be particularly familiar with, which is as a probability distribution. So the webpage itself just now ran through the statistics of the Schrodinger equation and produced a plot that is appropriate based on the probability of finding an electron. It's as though we did 10,000 checks of where the electron is and this is where we found it. And then superimposed on that is the color that we know that we're familiar with of the phase of the wave equation. But this is just one of many, many different representations that this website can deliver. We call it the pointillist. We can also show it a slightly different way, which instead of showing the phase of the wave function, it uses color to show higher density. And that gives a sort of a realistic aspect of where you're going to just add a little bit of an extra flavor to the idea of the probability. We can see the electrons are mostly in here and mostly in here, but every once in a while electron might be found way, way out here, quite distant from the atom, because the wave function actually is still present quite a ways away from the atom. It's just that usually what we do is we look at some region, which specifies something like 90 percent of the orbital, the probability is with them. So this is a site that you can use when you're talking about these to switch back and forth between these views and give students a better idea of what's going on here. You can also show radial plots. And an interesting thing that you can do is add the results of what we call the Monte Carlo, which is the probability aspect. And you can see that there where we did the calculation using just probability, indeed, we actually matched the data. These little dots actually matched the curve pretty well in terms of where they are and where they're supposed to be. And they're not exact because it's a probability distribution and there was some chance that a certain number of them would be inside or outside of that range. Okay, so that's number two. The third page I want to show you is one of my absolute favorite pages. We built this page early on when I was learning to do things on the web many years ago. And it still is one of my absolute favorite pages. I call it cool molecules because one weekend when I was on sabbatical one year, I sat down and I went through the big database of thousands and thousands of crystal structures. I went through 14,000 crystal structures and pulled out ones that I liked. So it's kind of Bob's pick of great structures. And it is a site that you could do an awful lot with because you have about a thousand structures of all sorts of different things. And what you want to do with them is whatever you want to do with them. But we do have a little page here that suggests various activities if you're talking about hybridization or molecular vibration or periodic trends or VSEPR theory. We have some built-in little discussions that you can have with your students, suggested activities that students can do using the website themselves, exploring a little bit or you could use in class yourself if you want to. I want to also make a point that all of these, almost all of the websites that I'm showing you, although I'm showing you them at St. Olaf College, actually you could put these on a flash drive and run them off your computer. They don't require servers. And if that's something that interests you, we can maybe provide a web page at Fosse that shows how to get these websites installed on your laptop yourself and not have to depend on the internet at all. But right now we're using it from St. Olaf because that's easiest for me. So these are the sorts of activities and there are many, many in these different areas similar to that. But let me show you the site. So the site itself is the database and it's set up as a periodic table. You can pick an element. So let's see. I like silicon. Well, what do we have here? We have about 15 structures with silicon. Most of them have silicon as the central atom. You see 15 silicon, either as a central atom or connected to it. Of these 14 have silicon. Let's just show the ones with the silicon in the center. Well, not surprisingly, they're all tetrahedral because that's what silicon does. Silane, here's some other small molecules, pretty much small molecules. And then here's a giant molecule with gallium and all kinds of other things as well. And the one place that you particularly want to go to is the view because that is going to now show us what when we were talking about Jamol, that's what we're talking about here. This is a little window that we can basically put anything in. And what we're putting in here, I'm going to make this a little bigger. What we're going to put in here is these various structures. So here's kind of the cool thing about the cool molecules. See this little previous and next. I had a list of 14 and I can run through those. Now the interesting thing here is that this is a scale model. So the 100 picometers, one angstrom, this distance is not going to change. And that means that as we scan through these, when you see different sizes, what happened there? Look, the one with the green, that was smaller than the one with the red. Well, what's going on there? Oh, well, the green, if you look over here, that's chlorine. I think you can hover over it. There, that's a chlorine. And when we go to bromine, it gets bigger. So just that sort of comparison is something you simply do not see. Ooh, that was silicon fluoride, right? Going to silicon chloride. Same structure, but chlorine is bigger than fluorine. And you can run through these pretty fast and make some very quick kinds of comparisons or explorations that students might be interested in. You can search it by all sorts of different things. So you can search it by shape. And that means that say I'm interested in talking about T shaped molecules. Well, understand that these are all experimental data. This there's nothing calculated here. These are all from the literature. This is the actual known structure. And there's there are references to the actual literature. If you ever wanted to go find where this data came from. And this was something that I've championed for many, many years, the idea of bringing actual data into the classroom, and not just relying on pictures of balls and sticks that have perfect angles, really getting the sense of the variation, you know, kind of like, it's not really 180 there. It's little, little less. 172 is the angle across here and 86 here. Because molecules are like that. And if you know a little bit of DSP PR there, you might even start saying, Oh, I think there's a lone pair out here. And it's maybe we're seeing adjustments to the angles because the unequal distribution of electrons around that bromine atom is forcing these two groups to be a little bit bent away from that lone pair. What else have we got here? So, well, let me get one that's a little bit more interesting than this. How about trigonal pyramidal? There are probably lots of those 108 structures that are trigonal pyramidal. And I just want to highlight this one little column over here that says PDF, because you can have some fun with that. If I do this bithymus tribromide and take a look here, and you scroll down, that is a piece of paper that if you printed it, you could use scissors and cut around the outside and fold on the inside. And the thing would fold up to an absolute scale model, 250 million to one with all the angles and the distances marked on that scale model. We have had a lot of fun with this. This is what we call molecular origami. And we've had just a tremendous amount of fun with that in my classroom when I was teaching general chemistry. So lots and lots and lots of examples there. Cool molecules, a terrific, a terrifically fun site. Next up, wouldn't it be nice to have a simulation of chemical kinetics that lets you really play with it, not just look at it, but actually work with it. And that was the thought I had when I wrote this site several years ago when I was teaching what we have in the college curriculum our second semester here at St. Olaf College. We do kinetics. And so I wrote this for the students in that class. And it has been very, very fun. Let me just give you a hint of how fun this is. So basically it's kind of a PowerPoint-like thing that allows you to have discussions that relate to various aspects, almost like a PowerPoint presentation, but they are associated with actually interesting kinds of activities. So if I go to the explorations, one of the explorations here, what do you think of this? Okay. So any of these kinetics, what we're talking about is the speed of reactions, right? And so what if we had a little website where we could watch a reaction go? And what we can do is we could start this reaction, watch it happen. Okay, we'll stop that one. Now let's start this one. And here's the question, which one was faster? Here, let's just start them both and watch. Uh-huh, right? I bet you can see that the one on the right is going faster than the one on the left, but the question is, how much faster is it? And so then when I'm in class, I propose this as a question to my students, how would you figure out how much faster one reaction is than the other? And students come up with all kinds of different ideas and we try them out and see how they work. And sure enough, there are various ways. One favorite is as students say, well, just do it for 30 seconds and see where it goes. There we go. Okay. And then we'll start this one. And the question will be, how long does it take to get to the same? I think it's about the same. And then they say, oh, look, this is 32 seconds, 17 seconds. That sounds a lot like twice as fast. And so that starts getting us into the talking about how do you actually consider rates and ideas of having graphs. So now we're going to start the same reaction and we're going to look at the table of data and we're going to see the graphs of the intermediates. We talk about slope, this initial idea of the initial rate. Now we're not going to even look at the flash, but we get the data and now you can go over here. Look, we can look at the slopes of these to see what's happening. And you can get some all sorts of interesting information by exploring these slopes. And this website is set up with some predefined questions that do have some answers to them that you or your students could explore alone or as groups or in class. I used this extensively, basically built my discussion of kinetics around this website when I was teaching this course some years ago. That overall is called kinetics, just so that it's something we can find, k-i-n-e-t-e-x. If you look up Google kinetics, St. Olaf, it would come up immediately. Pretty good. So point groups. Next one. This is a webpage I wrote a couple of weeks ago. I just thought I want to have a nice webpage that is fun that relates to point groups. So here we go. One of the fun, actually one of the first fun things is every time you load the webpage you get a different structure just for fun. There we go. There's another one. Now here's what's fun about this. First of all, we can pick a point group just to see what they have. D5? Seriously? Oh, yeah. Oh, ferrithine that's kind of twisted. There's no planes here because it's just a slight twist but that destroys the planes and so it's D5 instead of D5H for D5D. So if you want to discuss a particular symmetry, you can do that and visualize the planes and the axis, the inversion centers that are in that particular structure. But there's something even more interesting here than that. Other people have done that better than I can. The fun part here is we got a quiz. So watch this. We'll go into quiz mode here and the question is what's the point group? Okay. Now what you're going to do is you're going to say, well, I think there's a plane right here and it's going to say you're right. There was a plane. Got anything else? Well, now this is a tricky one. These are aromatic. Is there a plane, vertical plane here or not? The answer is yes because those double bonds are actually the resonance contributors that even all those out. So even with those double bonds, we still consider that a plane. All right. And I think we'd keep going here a little bit and we'd probably see some more planes. What do you think? Maybe there? Yep. Do we have any axes? I think we have an axis right down here. Let's see. One, two, three, four, five, six, seven, eight, nine, ten, eleven, twelve. Looks like it might be a C6 axis. And that's right. And as you do this a little bit more, you might decide that you've figured out what the point group is. And so you're going to guess or you're going to say, and you say, you know, somebody out there probably knows what point group this is, but I'm going to say I got a horizontal plane. I've got some vertical planes. I've got a C6 axis. I think it's D6H. I got it. D6H. Well, actually for me, that's pretty good because I usually make a mistake. I don't get these right. I'm not an organic chemist. But in this case, I got it. What do you think of that? So you can have a lot of fun with this website thinking about and talking about point groups. And you can do all sorts of things like you can even save these models and 3D print them if you want to. These are 3D print formats. And there's lots of other things you can do. You can load structures from anywhere. So there are these two sites that exist out there, PubChem and this group that's not known so well NCI National Cancer Institute, Computer Aided Design Group, and they have millions of structures. So if I clicked here and said, oh, give me the structure of 2, 3 di-bromobutane, there we go. We've got a structure. And now, you know, it does kind of look like there could be some symmetry there. I give up. Just tell me what it is. Oh, it's CI. There's an inversion center in there. And that's all we have. Must be right here. Okay. So that's the website. Fun. And while I'm at it, I really want to emphasize that really seriously, this took a weekend to write for me and you can learn how to do this kind of thing yourself. We've created these little buttons. It's super easy. And if you have an idea, then you just have to run with it and get some help from others who have done these kinds of things before. And there's always a great group of people who are willing to help you if you wanted to explore being creative yourself. Okay. Actually, the last one I want to talk about is the Crystal Sector website. And this is a site that I wrote several years ago for a meeting I was having at the American Chemical Society, I believe. And it's actually a very sophisticated site that allows great detail in terms of the all of the symmetry aspects of crystallography. So this says very detailed information much more than you would ever use at an introductory level. But I want to show you some aspects of it that could be quite useful at this level. So here it is. You can see this. I kind of rebuilt my websites from each other. This is kind of the same idea, but it's got different buttons. So this is a structure of course. Now, just to let you know, this is my favorite picture of quartz. You see this in books. It's beautiful. It's kind of like a figure eight or something like that. But you know what? It's an illusion because quartz is chiral. And what we really are seeing here, this is one of my favorite structures, because you say, oh, there's that you can see the helical twist of this molecule. And that is what makes quartz a chiral crystal. It has a left hand version and a right hand version in nature. When you get quartz crystals, some of them are left handed. Some of them are, I guess, half of them are left handed and half of them are right handed. But there's many, many other structures here. There's some that I've loaded in already. So we talk about sodium chloride and its structure. We talk about how you can have multiple unit cells stacked on top of each other, how they grow and grow to make the actual crystal structure, how you could have kind of a, you could think of, let's look at a space and fill it with these atoms and see what it looks like. I went through the class 12 unit one on solid state and found these one, two, three, four, five, six, seven structures discussed there. Of course, we're going to talk about diamond. And it's probably more fun to use a three by three cube. So we really get that sense of the complexity of the richness of that structure. Likewise, graphite. Now in the unit cell, graphite, it's kind of hard to tell what's going on here. But when you get a three by one by one, you can kind of start getting a sense of it. And I think a three by three by one is what we'd really like to show students, don't you think? There we go. Now you can see how one layer stacks on top of another layer there. And that's kind of the picture we often see in books. But we don't often have the opportunity to play with it ourselves and move it around and really see what's going on. And that's what Jamal is all about, is playing with it. Here's a body centered cubic face centered cubic. And here's a hexagonal close packed. Oh, you know, I think I have that backwards. Okay, I made a mistake here. I got to fix that. This one is the body centered cubic, obviously. And this one, this is a hexagonal close pack. So we'll work on that. I made a little mistake on that part of the site. But that will be fixed. And that's how we do these. So that is my set of structures of websites that I want to show you. I think we have time for questions here. I think actually ended up a little bit early. So, Snehalata. Yes, Professor Hansen. I think I will leave it to you now to continue the discussion. Yeah, thank you very much, Professor Hansen. That was very informative and very interesting, actually. I hope all our participants have enjoyed this talk of yours. And we are open to questions. So participants, you have any questions for Professor Hansen? Please put them up in the chat window. So 15 minutes. So he can answer a lot of questions, actually. So many teachers have a lot of good things to say. They say that it's very informative and they liked all the websites a lot. So that's all they say that they're thanking you for the nice session. But if there are any questions on the topics or on the websites which Professor Hansen has discussed, you can put it on the chat window. So as you can see. I'll go ahead and unmute Ramakrishna because he's got a hand here. You can do that too if you're not finding direct immediate questions. Let's go ahead. Oh, here we go. Hang on. Ramakrishna, you got your own music. Sure. Good evening, sir. It was very nice to talk. So you showed one slide where we can visualize the atomic orbitals. So I just wonder is there any way where we can visualize the molecular orbitals once the bonding takes place? Obviously more complicated because there's so many more possibilities, right? A simple example like the CH4 or like C2H6E10 or something. Yes. Okay. So if you have access to a program that can create a computational package, one of the open source computational packages that can create the models, can do the calculations, then we can load those models and have full access to all the molecular orbitals just from a drop down menu. So you can go through the Homo and the LUMO and look at those. And I mean, I have a few like benzene, for example. I don't have a, personally I don't have a collection of those, but I think there are out there. And I think we'll talk more about that next week because that's a little bit more in the organic chemistry side, typically. Yes, sir. So thank you. If you come next week, we can, we will definitely see a lot of molecular orbitals then. It's not something Jamal can produce itself. And I don't know off hand of a particular website, but I think, I think for sure they are out there. If you said, if you did a Google search and you said Jamal, J-M-O-L, Jamal. Okay, sir. Molecular orbitals or Jamal molecular orbitals, ethene or something like that. I'll make you a bet you'll find a page that does exactly what you're talking about. You're okay, sir. Sure. I'll explore it. Thank you. Okay. Ravi. Any more questions? There is a question on the chat window which Vimal Nayan has asked. It is about to please guide best software to evaluate Homo and Lomo. Well, I think Avogadro is probably one of the best software, open source software pieces that allow you to build a little molecule and then run the calculations. Snellata, I think you've done some, there's some with your process is done with Avogadro, right? Yeah, we have tutorials on Avogadro. So please visit the spoken tutorial website which I'll give the link in the chat window soon. Do you have a tutorial that specifically talks about molecular orbitals? No, we don't have a tutorial on molecular orbitals in our world. We should make one, yeah. I think so. I think people would be very interested in that. Because once you get started and see how easy it is, you can go wild. Yeah. And there is another question on by Suryaprakash. He says, can we get the structure of coordination complexes? Absolutely. Absolutely. In fact, the, I said the ICDD, there's a website. Well, Cambridge Crystal Graphic Data Site has many, many structures and several of those, they have a whole section on education which is about the crystal structures. The coordination compounds would be primarily crystal structure results. And you can certainly do that. And in fact, just so you know, all the websites I was showing you, if you had gone to one of these websites and gotten one of the structures, it's a format called CIF. You can just drag that into your browser at that window and drop. And that molecule will appear in that same context, like for the symmetry one or for the crystal structure website, those all accept drag, drop molecules. But you have to look around and see. But the crystal structures are out there, for sure, for lots and lots of coordination compounds. Yeah. And there are several in the cool molecule site that are coordination. Thank you. Yeah, cool molecular site. I think I'll just put that link on the chat window again, actually, so that everyone can click on that link and then Yeah, if it's not there already, the slides that we just gave will be there, I'm sure, very soon. And Snailata will send a link, a message to everybody who is here that points to the slides with the links. Does that sound about right, Snailata? Yes, yes. We will actually upload it on the NME ICT website. And that's the same website where the participants have registered. So if they go back to the website, they'll find that all these slides are uploaded and they're all clickable links on the slides. Clickable links. Yeah, so you can click and they can try them themselves. Yeah, they can explore basically all the websites. And please, if you end up using these in class, tell us. We'd love to hear that students actually enjoyed them or didn't or had trouble with them or didn't. That would be great. Yeah, all the people. We're starting to see some hands. Yeah, there is another question on the chat window which Shivani Satsena is asking. The students get often confused when it's a molecular orbital theory is introduced and NCAO sounds very similar to the formation of sigma and pi bonds of the valence bond theory. So is there any tool which can help them visualize, compare and contrast these two? What's the NCAO? That's like some natural combination or something. Is that the natural orbitals? Yeah, it's the combination of atomic orbitals. Oh, yeah, like a linear combination of atomic orbitals. Yeah, combination of atomic orbitals. Well, I don't know of any particular site that's focused on that, but there's a project. If that's something that interests you, talk it up and let's, you know, what would it be that would make that site perfect for you? And, you know, something that compares different ways of looking at structures could be very interesting. Yeah, one of the, one of the things that Jamal can do that people don't generally recognize is that when you show a molecular orbital, it's actually, you know, a combination of atomic orbitals. That's what a molecular orbital is, linear combination. Well, Jamal can, you can set it so it will show you the individual atomic orbitals that are going in to form the molecular orbitals. So that's another kind of interesting aspect to say, well, what part of this is from this atom? What part of this is from this atom? That kind of thing. You could do some interesting things with that. Yeah, so please write to contact hyphen soul at fosy.in. The email I have put it up in the chat window. So if you want to make your own pages, if you want to learn how to make your own, create your own content in the web page, we can help you do that. Yeah, if we get enough people interested in doing this, we'll hold some kind of a workshop or something. Yeah, definitely. So many of you are interested, we can organize a workshop, one day or a two day workshop, and then you can learn how to do it yourself, like how Professor Hansen has shown just now, he created his own web pages, so you can do it yourself. Yeah, there's nothing magical about it. It's just a little bit of a learning curve for getting started with it. If you, if you are, or if you have a students, you have a few students who know a little bit about JavaScript and HTML, and are interested in creating a little cool web app or something like that, that that could be something that would interest them. Yeah, we can give a template, a template page, and you can put your own things into that. Yeah. Sridhati? Good evening from our answer. It was a very informative session, sir. So basically I'm a research student, and I'm actually having a trouble with making a Kemski structure of a minus the synthesis of complexes. So how to exactly give a structural elucidation for a complex molecule, sir? So you mean draw a, create a three-dimensional structure? Yes, structure of a complex molecule. Is this an organic compound? It's a combination. So organic is my base molecule, which is a skip base and a complexation with the metal, metal acacutus. So it's kind of a complex compound formation, sir. Organometallic compound. Yeah, organometallic, yeah. Yeah, so you have a ligand and you have a metal. Yes, sir. Okay, so the ligand itself is no problem at all. And again, next week, I'll be showing how to, one of the things we're going to do is we're going to draw structures in 2D and have them come out in 3D. That's one of the cool things we can do. And I think that's what you're asking there. And then what you can do is you can manipulate that structure, you know, you can tweak it and you could put the metal in where you want it. So there are ways of doing that. Can you come next, if you are you planning to come next Thursday? So you can see that. I have registered for that as well, sir. And that's what, is there any software available is basically I wanted. I'm so interested. Yeah, it's web pages. You can do it all on web pages now. I think you can do, Professor Hanson. You can build actually a lot of complex molecules with Jamul, which is actually. So I'd be very interested in talking with you and seeing what you've got. Yeah, yeah, for sure. Even Avogadro can do that. Jamul also can do. Yeah. Yes, good evening, sir. It was a very interesting and wonderful and informative session to all the educators here, sir. And thank you for that to you as well as the team IIT Mumbai. Now, my question is, sir, can we understand by using these two, the quantum mechanics, like potential revocation for solving these 3D shapes? Well, there you'd have to use software that's especially designed for that computational tools. What I would I describe are the results of calculation. So you use other software to make those measurements and then do the calculations and then we view them. Does that make sense? Yeah, actually, what Professor Hanson is saying is that actually, there are other software, the quantum mechanics, which calculates the quantum mechanics, quantum mechanics, and then they can be used. Actually, they were used to create these 3D models. So that's what I'm saying. Yes, and, and, and primarily my focus has been web-based resources. And the calculations you're talking about are more high-power computer sort of calculations that aren't really amenable to web-based situations. Hope that answered your question. We're getting lots of more questions here. Who have I, who have I not offered to, here we go. Hello, good evening. Hello. Hello. Hi, I'm Dr. Dr. Hanson. I'm a doctorate student and I would like to ask one thing. Is there any application to, you know, get the value of zeta potential? Uh, this is in solid state? No, this is in states of matter. Basically, we will talk about the particle size and like, it's basically, it is related to some sort of material sciences. Like, if we will work on nanoparticles, then only we can use it. Yeah, yeah, yeah. I'm not familiar with that area, so I can't answer that question. It's kind of a little out. That's a little too far out in the material science for me. All right, no problem. Thank you, sir. Sure, good luck. Okay, so yeah, there is another question. I don't know the name, it says admin, but could you present us some visuals with respect to the concept of hybridization relating with nature? We can, when we relate principles and concept with nature, children would enjoy learning science. Well, tell you what, I'm going to say that that's a terrific idea for a web page. Get out there, expand on that idea yourself, think about what, how would you design, you know, what would you like to see, what brings the nature in with the molecules? I do have a site where I kind of did a little of that, but I didn't show it today. And if you send me an email, I'll send you a link to that. That's that molecule site, that does a touch of that, you know, it sort of gives a hint of the little discussion of ice, for example, and popcorn and structure and stuff like that. Okay, which is that link? I can post it in the web. I'll have to get it to you, we think we'd get it to people, but Okay. Yeah, or that whoever that was who was asking that question, feel free to contact me. There is no name, it says admin, so I'm not sure. I'm talking to whoever is admin. Feel free to contact us directly with that question and I can fill you in. Sure. Veniti, did you have a question? Yes. Hello. It's been a very nice experience being with you this evening. And it has opened a world of possibilities for me. I'm an associate professor here in post graduate college where we deal with chemistry in a single class of about 120 students. And they come from majority come from rural areas. So language is a very big issue with them. So here the visual model itself is so exemplary. So nice that what I would like to again know is that you showed one site where you showed the formation of a carbonate ion, if I remember. The Lewis dot structure. Yes, yes. And then you created the dots for the lone pair of electrons and the bonds. But below that, there was a table which signified some data. I just, if it's not a big problem, I just like you to just explain it again, because I'm unable to correlate one data to the, that is the number of bonds to the carbonate ion. So I think I'm missing some point and I would like if that could be clear. No problem. Yeah. I guess we could, let me share my screen and I can just go back to that quickly and we can look at it again. Would you like to do that? It was the first link you had come to. Yeah, I think it was, I'm not sure there's so many links we've been moving through. No, that's very easy. That was the first link you had opened, sir. And that was something you had talked about a carbon. Yes, yes, it was this construct and you were structured and we created a carbonate ion. Right. And you're talking about this little box down here. This box and here we see single bonds are six. Six electrons. Three bonds times two. Okay, so it's, it's, it's accounting electrons. So single bonds have six electrons. Yes. Meaning we have three signal bonds. Okay. That's what that's. Oh, thank you so much because here I was reading it as six bonds, six signal bonds. Of course. Okay. Thank you so much. So the idea here is that we're trying to do an accounting, right? We know that we need 22 valence electrons. Right, right. Okay. And our charge is minus two, so we total of 24. Right. And so we've got six already. We still need 18. And then as we start doing this, you see this. Yes. Now we have a double trip. Now we're going to start putting in, you see these lone pairs get more and more and more. Yes. And I'm going to put another lone pair. Yes. No, won't let me because now I'm taking them off. Okay, better. See. And so it just lets us adjust these and it's now I know I have two more needed. Yes. And then it shows me that. Yes, absolutely. Absolutely. Thank you so much. Here was, this is something which I read incorrectly. Yeah. Thank you so much. Now, I don't know what the interest is here or the need, but you can take a little page like that, like that blue star structure. Yeah. That could be done in any language. If, if English is a barrier to students using that web page, I can show you, I mean, I can give you a great, we could do that in different languages. You know, I couldn't do it, but you could see very easily how to rewrite that and adapt it. I think it would be kind of fun. And then on my page, what I would do is put a link to another language version. Sure, because that would make it very versatile. I think that'd be a lot of fun. And that's what people have to do. That's the distributed aspect of this whole operation. So does the, does the typical technology we use in chemistry that gets translated into Hindi? For example, the majority in my college are Hindi speaking population. So there are very typical Hindi terms for hybridization or isomerism or conjugation or hyperconjugation or if I come to optical isomerism. So will the language, you know, change or will the language be translated exactly into? Well, what I'm saying, what I'm saying is that if you know how to do the translation, you can do it yourself and then just patch it into a similar website. Does that make sense? It's not like it would be automatic or anything. I'm saying that people like this in this group could offer to do the translation for some of these websites if they feel that that's the barrier for their students. I have actually no idea because I have a very limited knowledge of certain terms which I've been using since past many years to get through to them. But if I'm expected to just translate the whole of the website into I don't think so. No, no, for example, that what the one that you were looking at right there, that little stop structure. Okay, it's just a little box of text. Yes, that's not a big deal. This is the smallest part what we teach, because we actually come to the bigger aspects of the undergraduate level. And yes, definitely the box can be translated. Thank you so much. Suggestion. Thank you so much. Thank you so much. Alright. 91982 is an intriguing name. So I'm clicking on that on 91982. Hello, 91982. Hello. What's your real name? You name? Oh, sorry. This is Manju Rajoyar. Okay. Manju. I have a very simple question. When we teach shapes of different orbitals to the students of class 11, the first question comes that why d z square is having a different shape from all other four orbitals and how can explain the shape? Very unique shape of z square. So can you please throw some light on the shape of d z square orbitals? You mean like the x squared, y squared and z squared, all those kinds of things? Yeah, yeah, yeah, I think I can. Okay, so when I teach this, I actually am not afraid of showing students the solution to the Schrodinger equation. And I have a, if you write to me, I'll send you it. I have a one page PDF that is the written out solution to the hydrogen wave equation. Okay. And it has, if you look carefully at it, you know, you look at it and go, oh my god, I couldn't possibly understand this. Look at all this math. But you look carefully, you say, oh, there's cosines in there. There's sines. There's cosine squared. There's sine squared. And as students who have had enough mathematics can think, oh, you know, I could draw that. Oh, look, it looks just like this orbital, because that's part of the solution. And you're putting the little n's and the l's and the m's in there, in that case, the l's and the m's. And that changes the powers of those cosines and sines. And so that is what's driving the shape of the orbitals. And I especially like the fact that that little, that equation has factorials in it. And it has factorials like n factorial or l factorial or l minus one factorial. And we know that factorials, the lowest number you can ever have is zero. Yes. You can't have minus one factorial. And that's the limit for what l is given a, like there's an n minus l factorial there. So what's the biggest l can be? Huh? You know, it can't be bigger than n, because there would be no mathematical solution. That's my answer to that question. Give them the math and challenge them to make a tiny bit of sense out of it. Even if they don't understand how that solution was ever made, I love that doing that with them. I'll also try this. Thank you so much, sir. Send me an email and I'll send you that, that PDF. Okay, sure, sir. Sure. Sure. Thank you. Please write to contact hyphen soul at fossing. I have put the email in the chat window. So whoever wants to collaborate with us, please write to us. We'll definitely get back to you. And regarding the feedback form, whoever have registered, it has been sent to you or you will receive today. Whoever have not registered, I have to put the link in the chat window. I'll do that. Yeah, or please write to contact hyphen soul. So you will receive the link from us. Any more questions? I have to say this has really been wonderful for me to see the excitement that's out there for this sort of thing. And I certainly hope that you walk away from this feeling that there's a very low barrier to using some of this in your classroom. And I hope you take the opportunity to experiment a little bit and see what you can do and bring three dimensional aspects into your classroom and make it dynamic. So thank you very much for all coming. Thank you. That was very interesting. Any more questions from the participants? Because I think Professor Hansen has to go for a class now. He has to teach his class in an hour, I think so. So I think Usha, our senior manager at FOSIM, will say a few words. Votav, thanks. So I'm very happy. Thank you, Srinathlata. So I'm very happy to deliver the Votav thanks for this occasion. I feel very privileged to do that. And so I would like to thank Professor Hansen for this wonderful session. And I'm sure that participants have gained a lot of knowledge on different resources which are available out there. And that can be used in their classrooms for their lectures and make the classes for the students more interactive and very interesting. So thank you very much for that, sir. And I think our participants will definitely use these resources in their classrooms. And I would like to thank all the participants who patiently listened to the webinar and after that made a very lively question and answer session. So that also was a very good thing to see. And this is a FOSIM project and we are actually promoting the free and open source software. And one of it is Jamal. And our funding agency is a Ministry of Education. And I thank the Ministry for funding us so that we can do all these kind of interactive sessions and other things which can help reach out to people with the open source software. So I'm very thankful to the Ministry. And apart from that, I would like to thank Professor Kannan, who is actually the PI of this project as well as the driving force. He is the one who actually has a lot of idea and mission. And he comes up with a lot of ideas to how to reach out to people. So this is one of the way we do that. And I'm very thankful to him. And finally, I would like to thank Nehalatha and her team who actually put together this whole session and was tirelessly working for the past few days and making this webinar a huge success. So I thank you all also. And thank you everyone and a big thanks to you, Professor Hansen and see you next week again. Absolutely. Thank you, Shah. Thank you so much. Yeah. So thank you, Professor Hansen. I mean, actually Professor Hansen put in a lot of efforts last few weeks for this presentation. I mean, it has been to see so nicely by all the teachers, students who are there in the webinar today. And I hope they put it to use. They have to use it in their classrooms. Now you have to use it. Good evening, sir. Thank you so much for this session. You're welcome. Sir, I have one request. Do you have any lecture videos of your classes in the YouTube so that we can get learned from that? Because I learned this is the first year I'm teaching 11 standards. So I have been watching a lot of YouTube videos to actually visualize the abstract ideas. I don't want to see only the textbooks. I want to understand and explore and see to the molecular level. So today you have just given us what are the sides and everything. And I would be really happy if you have any lecture videos so that I can make you I can learn a lot from it. Well, I appreciate that. And the answer is I do, but they're private because they're in a private setting with students. And so I'm not allowed to release them. But that's how it goes. I do have a set of organic videos called got it videos that are different. But no, I don't. But thank you for asking and suggesting that. Yes, sir. So in future, if you have any idea to do some videos, also, it will be very helpful for the teachers like us. It will be really useful for us. Because what is important to the student in students aspect, what are the things to stress about? In what depth we have to teach them? Sometimes we should not teach them over also, they will get confused and they will also get demotivated. They should not get threatened. So we should tell only the right level of information to that age level. So if we have videos like that, it will be really useful. Yeah, I think you have to understand that the context is so different. I teach in a private liberal arts college, University in Minnesota. And our our students and our needs and our setting is so different. But there must be places in India that focus on exactly what you're talking about. And specifically that class 11 and class 12 experience. I would encourage you to maybe talk with Snail Athan and some others and find out what's out there for you. Because I understand completely, especially if you're sort of getting started in this, how much you want to see someone else do it. And I just have to have to say after 36 years of doing this, that guess what? Pretty much you got to figure it out yourself and sort of sort of do what you do your own thing, right? So that's a certain limited ask. You know what somebody else does is just it's not you. So be brave and try it. It'll take you a while to try it out. But I'm sure you'll succeed. Yes, sir. Thank you so much. It's not, I do have to learn, right? So I just wanted to ask you, generally, by trial and fire, I think they say, right? Yes, sir. Thank you so much. So depending on, okay, thank you. I need to go. Or I will be late for class. Thank you so much for having you here. Yeah. Thank you. See you again next week. Bye bye. Yeah, next week. Bye. Yeah. Bye bye. Bye. Thank you all. It was a very interesting session. So I hope you're all benefited from it. So see you next week. Bye bye.