- #GAUSSIAN COMPUTATIONAL CHEMISTRY SOFTWARE COMPLAINTS LICENSE#
- #GAUSSIAN COMPUTATIONAL CHEMISTRY SOFTWARE COMPLAINTS WINDOWS#
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#GAUSSIAN COMPUTATIONAL CHEMISTRY SOFTWARE COMPLAINTS WINDOWS#
You will be using a gas IR cell fitted with KBr windows in this experiment. If you would like to review the basic WebMO procedures, please click here to view the CHEM 131 Computational Chemistry Exercise. 8 For additional information on computational chemistry in general, 9 and the Gaussian computational package 10 you are referred to the given references. 6 This will be modified to some extent, as outlined below, because you will be using the WebMO interface 7 for Gaussian. The computational component is drawn from a literature procedure. You also do not need to be concerned with any statistical mechanical calculations. You will follow the data analysis method given in reference 1, but a different method will be used to generate a mixture of HCl and DCl, 5 so you do not need to be concerned with the procedures given in references 1 and 2.
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The handouts, 1,2 your textbook, 3 and the online reference 4 give more background on the theory and the methods that you will use to extract the rotational and vibrational parameters from your data. Therefore, you will also be acquiring data for the 2H- 35Cl and 2H- 37Cl isotopomers. While our FTIR spectrometers can resolve the peaks arising from the 1H- 35Cl and 1H- 37Cl isotopomers, the instrument’s precision is not high enough for our analysis. To obtain the most precise values possible for these parameters, you will need to acquire data for two different isotopomers of HCl. You will be acquiring IR absorbance data from which you will extract the relevant parameters and you will also be using computational chemistry methods to exam an alternate way of modeling the H-Cl bond. In this exercise you will be evaluating whether the Morse potential is a sufficiently good model for the single vibration of the HCl molecule. Post memes/jokes in /r/chemistrymemes and /r/chemistryjokes.Vibrational-Rotational Spectroscopy of HCl Any such posts will be deleted.Īsk education and jobs questions in the current weekly topic. If you're looking for a more concentrated, advanced discussion of chemistry topics among professionals and grad students, check out /r/Chempros.īefore asking "What chemical is this?" see this chart. Click here for the OSHA chemical data site and here for a multicompany MSDS aggregate search. If you spill/injure yourself contact medical professionals and read the MSDS, do not post to this reddit. Yes links to blogs, images, videos, comics, and infographics are okay especially if they are on your personal website. No physorg, sciencedaily, or other press release aggregator spam!
#GAUSSIAN COMPUTATIONAL CHEMISTRY SOFTWARE COMPLAINTS LICENSE#
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