Difference between revisions of "Introduction to Computation Chemistry"
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This physical chemistry lab will introduce student to computational chemistry resources at Monmouth College. | This physical chemistry lab will introduce student to computational chemistry resources at Monmouth College. | ||
| − | [http:// | + | [http://iron.monmsci.net/~webmo/cgi-bin/webmo/login.cgi WebMO 18.0] |
| − | [http:// | + | [http://iron.monmsci.net/~webmo_pro/cgi-bin/webmo_pro/login.cgi WebMO 18.0 Pro] |
===Introduction to WebMO=== | ===Introduction to WebMO=== | ||
===Setup WebMO Accounts=== | ===Setup WebMO Accounts=== | ||
| + | ===Calculation of Water vibrational Modes=== | ||
| + | |||
| + | ===Calculation of a water droplet=== | ||
| + | |||
===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/Molar_ionization_energies_of_the_elements Data can be found here] | |
| + | ===Keto-Enol?=== | ||
===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.