Molecular visualization for the masses: Virtual model kits to virtual playgrounds Robert M. Hanson, Erik Wyatt (St. Olaf College) Hai Nguyen (Carleton.

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Presentation transcript:

Molecular visualization for the masses: Virtual model kits to virtual playgrounds Robert M. Hanson, Erik Wyatt (St. Olaf College) Hai Nguyen (Carleton College) BCCE 22 Penn State University Wednesday, Aug. 1, 2012

Tom Newton, U. So. Maine. Thanks for the great collaboration! Otis Rothenberger, Ill. State Markus Sitzmann, NCI-NIH Carl Batt Cornell Univ.

Hens Borkent Radboud Univ., Netherlands Thanks for the great collaboration! Paul Pillot, Académie de Nice Amanda Leone, St. Olaf Robert Lancashire, U. West Indies

Hai Nguyen Carleton ’13 Thanks for the great collaboration! Erik Wyatt St. Olaf ‘14 Craig Martin U. Mass. Amherst Adam Williamson U. Mass.

Web-base molecular visualization molecular orbital viewer virtual model kit molecular playground new ideas for teaching spectroscopy

Web-base molecular visualization molecular orbitals

Molecular Orbitals (Including Linear Combinations)

Molecular Orbitals (Including Linear Combinations)

Molecular Orbitals (Including Linear Combinations)

Molecular Orbitals (Including Linear Combinations)

CheMagic O=Chem VMK

CheMagic O=Chem VMK Molecular Editor

CheMagic O=Chem VMK Structure Drawing JME applet by Peter Ertl, Novartis, Basel, Switzerland

Infinite Model Collection

Dynamic Models

Google: bobjmol molecular playground

Structure/Spectrum Correlation

Spectral Analysis Using JSpecView

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