Difference between revisions of "WebMO Electrostatic Potential maps"
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(Created page with "(4/23/20, bes) '''Exercise 5: Electrostatic Potential Maps''' [https://chem.libretexts.org/Bookshelves/Physical_and_Theoretical_Chemistry_Textbook_Maps/Supplemental_Modules_...") |
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[https://chem.libretexts.org/Bookshelves/Physical_and_Theoretical_Chemistry_Textbook_Maps/Supplemental_Modules_(Physical_and_Theoretical_Chemistry)/Chemical_Bonding/Fundamentals_of_Chemical_Bonding/Electrostatic_Potential_maps Electrostatic potential maps] show the electron distribution (ie. the composite wavefunction for all electrons) within a molecular frame. for example. | [https://chem.libretexts.org/Bookshelves/Physical_and_Theoretical_Chemistry_Textbook_Maps/Supplemental_Modules_(Physical_and_Theoretical_Chemistry)/Chemical_Bonding/Fundamentals_of_Chemical_Bonding/Electrostatic_Potential_maps Electrostatic potential maps] show the electron distribution (ie. the composite wavefunction for all electrons) within a molecular frame. for example. | ||
| − | [[File:EPmaps.jpg|400px]] | + | [[File:EPmaps.jpg|400px|[https://www.slideserve.com/hermione-mendez/electrostatic-potential-maps-models-that-visually-portray-polarity-and-dipoles reference]]] |
Using WebMO/Gaussian please complete the following table by optimizing the geometry based the stated level of theory and basis set: | Using WebMO/Gaussian please complete the following table by optimizing the geometry based the stated level of theory and basis set: | ||
Revision as of 14:08, 23 April 2020
(4/23/20, bes)
Exercise 5: Electrostatic Potential Maps
Electrostatic potential maps show the electron distribution (ie. the composite wavefunction for all electrons) within a molecular frame. for example.
Using WebMO/Gaussian please complete the following table by optimizing the geometry based the stated level of theory and basis set: