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Links in Category: Electronic Structure
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hBar Lab
12-16-2014 05:06 AM by Medical Links
Web-based service, where users pay to be provided with calculations of molecular properties such as ionization energy or geometry of a target molecule.
Views: 12, Replies: 0
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Introduction to Relativistic Quantum Chemistry
12-16-2014 05:06 AM by Medical Links
Lecture notes for a course taught at the University of Helsinki.
Views: 29, Replies: 0
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NWChem
12-16-2014 05:06 AM by Medical Links
Software for electronic structure calculation and molecular dynamics simulations. Includes documentation, information on how to obtain the software, and tutorials.
Views: 31, Replies: 0
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Simplified Introduction to Ab Initio Basis Sets. Terms and Notation
12-16-2014 05:06 AM by Medical Links
An article by Jan K. Labanowski.
Views: 22, Replies: 0
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