Difference between revisions of "PChem322 f20 w3"
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Intro to WebMO - Computational Chemistry | Intro to WebMO - Computational Chemistry | ||
- Setup accounts | - Setup accounts | ||
| − | + | ||
| + | ====Water Calculation==== | ||
:* WebMO Job Manager | :* WebMO Job Manager | ||
:* Drawing structure (Build mode) | :* Drawing structure (Build mode) | ||
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::- | ::- | ||
| + | ====Calculate Atomic Ionization Energies==== | ||
| + | http://esr.monmsci.net/wiki/images/9/9b/Ionization_energy_chart.pdf | ||
==Fri, Feb 12, 2021== | ==Fri, Feb 12, 2021== | ||
Revision as of 19:50, 11 February 2021
Mon, Feb 8, 2021
cont. Chapter 2
Section 2.2 cont.
- - traveling waves
- - Standing waves
- - Classical non-dispersive wave equation
- Example Problem 2.2
Weds, Feb 10, 2012
Section 2.3
- - development of the time-independent Schrodinger Equation
Thurs, Feb 11, 2021 - Lab
Sec 2.4
The structure of Operator Algebra
Operate on a 2x2 Rubiks Cube?
Intro to WebMO - Computational Chemistry - Setup accounts
Water Calculation
- WebMO Job Manager
- Drawing structure (Build mode)
- - Add hydrogens
- Editing structure (Adjust mode)
- Cleaning up structure before submitting: "Comprehensive - Mechanics" and "Symmetrize."
- Submitting job
- -
Calculate Atomic Ionization Energies
http://esr.monmsci.net/wiki/images/9/9b/Ionization_energy_chart.pdf