Difference between revisions of "Introduction to Computation Chemistry"
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===Introduction to WebMO=== | ===Introduction to WebMO=== | ||
===Setup WebMO Accounts=== | ===Setup WebMO Accounts=== | ||
| + | ===Calculation of Water vibrational Modes=== | ||
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| + | ===Calculation of a water droplet=== | ||
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===Calculation of Atomic Ionization Energies=== | ===Calculation of Atomic Ionization Energies=== | ||
[[Media:Ionization energy chart.pdf|Make this chart]] | [[Media:Ionization energy chart.pdf|Make this chart]] | ||
| − | [https://en.wikipedia.org/wiki/ | + | [https://en.wikipedia.org/wiki/Molar_ionization_energies_of_the_elements Data can be found here] |
===Keto-Enol?=== | ===Keto-Enol?=== | ||
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===Calculation of UV-Vis for Conjugated Polyenes=== | ===Calculation of UV-Vis for Conjugated Polyenes=== | ||
Latest revision as of 22:30, 31 January 2019
This physical chemistry lab will introduce student to computational chemistry resources at Monmouth College.