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The server is currently operational and accepting new jobs.............Thanks to
the North Carolina Science, Mathematics and Technology Education Center for
their funding support!
The server is currently operational and accepting new jobs.............Thanks to
the North Carolina Science, Mathematics and Technology Education Center for
their funding support!

North Carolina High School Computational Chemistry Server

SPONSORED AND MAINTAINED BY

Already have an account? If so, you can login to the server. If not, read below
for instructions on getting an account!


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> "The underlying physical laws necessary for the mathematical theory of a large
> part of physics and the whole of chemistry are thus completely known, and the
> difficulty is only that the exact application of these laws leads to equations
> much too complicated to be soluble." -- P.A.M. Dirac, 1929

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Want to take it for a spin? If so, you can contact the site administrator at
gotwals@ncssm.edu for guest access. This gives you approximately two (2) minutes
of computing time per job.

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Welcome to the NCHSCCS! Support Materials Readings, Activities, and Labs The
North Carolina High School Computational Chemistry Server is a research-grade
scientific workstation that contains two of the most widely used research
software programs (Gaussian and MOPAC) for calculating the structure and
properties of chemical molecules. This resource is provided free of charge to
all students and teachers in the State of North Carolina. Students in public,
private, parochial, charter, and home schools are all eligible to use this
resource.

There are two types of accounts available for this resource:



 1. Classroom accounts: these accounts are available to chemistry teachers who
    desire to provide students with an opportunity to explore the technologies,
    techniques, and tools of computational chemistry. These accounts are
    provided over a limited timeframe, and job limits are set at five (5)
    minutes for a single run, with 20 minutes of total CPU time per student.
 2. Research accounts: these accounts are available to individual students or
    teams of students wishing to pursue an independent research project. Job
    limits are set following discussion with the NCHSCCS project managers.

INFORMATION FOR USERS

 1. General Frequently Asked Questions
 2. Quickstart Tutorial (PDF) (Note: this tutorial has pictures with an older
    interface, but should still be useful
 3. Complete Users Guide (PDF): approximately 100 pages in length, but quite
    useful!
 4. WebMO Molecular Editor tutorial: help with building molecules

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INFORMATION FOR STUDENTS

 1. Frequently Asked Questions (FAQs) for Students

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INFORMATION FOR TEACHERS

    
 1. Frequently Asked Questions (FAQs) for Teachers
 2. Requesting Classroom Accounts
 3. Conference Article: "Integrating Computational Chemistry into the General
    Chemistry Curriculum
 4. Journal of Student Computational Chemistry: North Carolina School of Science
    and Mathematics, Spring 2007

 1. Case Study: Vibrational Frequencies of Water
 2. Case Study: Atomic Orbitals Lab
 3. Case Study: Determination of Molecular Geometries Lab
 4. Reading: A Quick Guide to Understanding the "Configure" window (PDF): this
    document provides a very brief introduction to computational chemistry, with
    a focus on understanding the jobs configuration window on the server
 5. Confirming and Visualization Lewis Dot Structures

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With appreciation to the Burroughs Wellcome Fund , the North Carolina Science,
Mathematics and Technology Education Center and Gaussian, Inc. for their funding
support!