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

1 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

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

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

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

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

6 Web-base molecular visualization molecular orbitals

7 Molecular Orbitals (Including Linear Combinations) http://chemapps.stolaf.edu/jmol/mo

8 Molecular Orbitals (Including Linear Combinations) http://chemapps.stolaf.edu/jmol/mo

9 Molecular Orbitals (Including Linear Combinations) http://chemapps.stolaf.edu/jmol/mo

10 Molecular Orbitals (Including Linear Combinations) http://chemapps.stolaf.edu/jmol/mo

11 CheMagic O=Chem VMK http://chemagic.com/vmk

12 CheMagic O=Chem VMK Molecular Editor http://chemagic.com/vmk

13 CheMagic O=Chem VMK Structure Drawing JME applet by Peter Ertl, Novartis, Basel, Switzerland http://chemagic.com/vmk

14 Infinite Model Collection http://chemapps.stolaf.edu/jmol/modelkit

15 Dynamic Models http://chemapps.stolaf.edu/jmol/modelkit

16 http://chemapps.stolaf.edu/jmol/modelkit

17 http://chemapps.stolaf.edu/jmol/modelkit

18 http://chemapps.stolaf.edu/jmol/modelkit

19 http://chemapps.stolaf.edu/jmol/modelkit

20 http://www.molecularplayground.org/

21 Google: bobjmol molecular playground

22

23 Structure/Spectrum Correlation http://chemapps.stolaf.edu/jmol/jspecview/jsvtest.htm

24 http://chemapps.stolaf.edu/nmr/viewspec2 Spectral Analysis Using JSpecView


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