Further Explorations of Molecules Using WebMo

About this Unit

Authors of original unit: Shawn Sendlinger

Partner Projects: Biology Student Workbench

Intended Audience

Grade Level: High school chemistry teachers

Keywords

Subject Areas: Molecular Structure, Molecular Visualization, Molecular mechanics

Rationale of the Unit

WebMO is a free World Wide Web-based interface to computational chemistry packages. It improves the accessibility and usability of computational chemistry software. Users can access and use your software from their web browser. A web-based interface provides unheard of ease-of-use and a shallow learning curve for beginners. Advanced users benefot from convenience, full access to input and output, and management of computing resources. WebMO also allows many users to take advantage of a single workstation containing the computational chemistry programs. This greatly lowers the cost of hardware and software licenses, and it minimizes the time and effort for system maintenance.

Use(s) of the Unit

Intended for high school chemistry teachers, who wish to use computational tools in the classroom. Also suitable for introductory college chemistry. May also be used directly by students for self-study.

Software needed to run the Unit

Web browser (preferably Firefox), Javascript-enabled. Flashplayer plugin( You can download the plugin from here )

Content of the Unit

Exercise in further explorations of molecules by WebMO.

Introduction: background information on enerygy of molecules.

Part 1: Determination of the Proton Affinity for Pyridine Using Various Methods.

Part 2: Charge Distribution in Aromatic Compounds.

Part 3: drH for an Isodesmic Reaction.

Part 4: The Infrared Spectrum of Formaldehyde.

Part 5: Downloading a File from the Protein Data Bank.

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