PQR News

Welcome to PQR

Perhaps the key concept of chemistry as a molecular science is that the shape of molecules and their quantum properties dictate their function. Yet because of the ubiquity of 2D depictions in textbooks, printed matter (i.e., homework, exams, journal articles) and computer displays, students and sometimes even experienced chemists often lack intuition about 3D molecular shapes. Even more so, conventional depictions of molecular properties resulting from quantum mechanics, such as molecular orbitals or electron densities, commonly suffer from a lack of rigor and intuition. Computer-based molecular visualization techniques are relatively common, but are often difficult to integrate into classroom activities and lectures.

PQR seeks to change this.

Rather than viewing a static 2D picture, you can now choose an interactive 3D depiction from a database of thousands of molecules. Most importantly, PQR makes it easy for researchers and educators to share data with their audience.

Either copy the DOI - the permanent digital object identifier, or the 2D QR barcode. Both of these will always let others access the same interactive molecular view. All the data on PQR is available as "open data," for both research and teaching.

We have lots of plans for PQR as we expand over the summer and the coming years.