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1-methoxy-1,3-butadiene | Exploring Chemistry 3rd edition
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Molecules, videos, input files and additional information. Example 6.1, pp.229-32. Click here to run JSmol in a new window with this molecule. Infrastructure: “Magnificent” by Elegant Themes. This website has been tested with the current versions of Firefox, Chrome, Safari, Internet Explorer and Microsoft Edge as of October 2015. Older versions are not supported for all pages.
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Updated Results Table for Exercise 4.14 | Exploring Chemistry 3rd edition
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Molecules, videos, input files and additional information. Updated Results Table for Exercise 4.14. Updated Results Table for Exercise 4.14. 8 Jan 2016 by. The results given in the text on page 191 are for the B3LYP method rather than for APFD. Here is an updated table incorporating the results from both functionals (all values are in au):. Beta; ∥. Gamma; ∥. Infrastructure: “Magnificent” by Elegant Themes.
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fluorooxirane | Exploring Chemistry 3rd edition
http://expchem3.com/molecules/fluorooxirane
Molecules, videos, input files and additional information. Example 7.8, pp.296-97. Click here to run JSmol in a new window with this molecule. Infrastructure: “Magnificent” by Elegant Themes. This website has been tested with the current versions of Firefox, Chrome, Safari, Internet Explorer and Microsoft Edge as of October 2015. Older versions are not supported for all pages.
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Theory | Exploring Chemistry 3rd edition
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Molecules, videos, input files and additional information. The following additional discussions of topics from the “Theoretical Background” chapter are available (with the page number of the related material in the current book indicated in parentheses). The Schrödinger Equation (p. 467). The Born-Oppenheimer Approximation (p. 468). Full vs. Limited Configuration Interaction (p. 483). Møller-Plesset Perturbation Theory (p. 485). The Forms of DFT Functionals (p. 487).
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Wide Range of Elements | Exploring Chemistry 3rd edition
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Molecules, videos, input files and additional information. Wide Range of Elements. Wide Range of Elements. 16 Nov 2015 by. Exploring Chemistry includes examples from many different parts of the periodic table. Its examples include organic compounds, inorganic compounds, organometallic compounds, metals and so on. Most chemists will find ones relevant to their particular areas of interest. Infrastructure: “Magnificent” by Elegant Themes.
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More About Conformational Averaging | Exploring Chemistry 3rd edition
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Molecules, videos, input files and additional information. More About Conformational Averaging. More About Conformational Averaging. 15 Jan 2016 by. Example 4.8: NMR spectrum of 2,2,4-trimethyl-1,3-pentanediol. In the example described in the book, we used the Pcmodel package to perform the conformational search, specifically Pcmodel version 10 on a Mac OS X computer. The input file provided for this example in the main input file archive is the starting file for Pcmodel. Predict the chemical shift for e...
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Videos | Exploring Chemistry 3rd edition
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Molecules, videos, input files and additional information. Exercise 2.2 (p.66) Building Chromium hexacarbonyl with GaussView. Example 3.1 (p.91) Optimization of η 1. Example 3.1 (p.92) Optimization of η 5. Example 3.5 (p.105) 1-Fluoropropene Cis-Trans TS Imaginary Frequency. Example 3.5 (p.105) Trans 1-Fluoropropene (CCCH=180°) Imaginary Frequency. Example 3.6 (p.107) Vinyl Azide Decomposition QST3 TS Optimization. Exercise 3.1 (p.111) Characterizing Planar Vinyl Amine. Exercise 6.4 (p.259) Si. Example 9...
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Molecules by Common Name | Exploring Chemistry 3rd edition
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Molecules, videos, input files and additional information. Molecules by Common Name. Molecules by Common Name. Anion dimer (ferredoxin model). Green fluoroscent protein (GFP). 3-oxabicyclo[4.3.1]decane-2,8-dione. 1,1,3,3-tetramethyl-2-propenyl cation. 1,1,3,3-tetramethylallene. 1,1,3,3-tetramethylallyl cation. 2,2,4-trimethyl-1,3-pentanediol. Infrastructure: “Magnificent” by Elegant Themes.
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hydrogen cyanide | Exploring Chemistry 3rd edition
http://expchem3.com/molecules/hydrogen_cyanide
Molecules, videos, input files and additional information. Exercise 10.5, pp.491-92. Click here to run JSmol in a new window with this molecule. Infrastructure: “Magnificent” by Elegant Themes. This website has been tested with the current versions of Firefox, Chrome, Safari, Internet Explorer and Microsoft Edge as of October 2015. Older versions are not supported for all pages.