Molecular Modeling Basics

The "how to" of molecular modeling in education and research

Sunday, September 1, 2013

Online presentations: Intro to qualitative MO theory and Computational Organometallic Chemistry

Just came across these videos:

Wes Borden, University of North Texas
An Introduction to Qualitative Molecular Orbital Theory


Tom Cundari, University of North Texas
Computational Organometallic Chemistry
Posted by Jan Jensen at 09:09 0 comments
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Labels: online presentations

Computational Chemistry Highlights: August issue

The August issue of Computational Chemistry Highlights is out.

CCH is an overlay journal that identifies the most important papers in computational and theoretical chemistry published in the last 1-2 years. CCH is not affiliated with any publisher: it is a free resource run by scientists for scientists. You can read more about it here.

Table of content for this issue features contributions from CCH editors Steven Bachrach and Jan Jensen:

A grossly warped nanographene and the consequences of multiple odd-membered-ring defects

The Binding of Benzoarylsulfonamide Ligands to Human Carbonic Anhydrase is Insensitive to Formal Fluorination of the Ligand

Nonamethylcyclopentyl Cation Rearrangement Mysteries Solved

Interested in more? There are many ways to subscribe to CCH updates.

Posted by Jan Jensen at 08:34 0 comments
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Labels: Computational Chemistry Highlights
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