Molecular visualization for the masses: Virtual model kits to

virtual playgroundsRobert M. Hanson, Erik Wyatt (St. Olaf College)

Hai Nguyen (Carleton College)BCCE 22

Penn State UniversityWednesday, Aug. 1, 2012

Tom Newton,U. So. Maine.

Thanks for the greatcollaboration!

Otis Rothenberger,Ill. State

MarkusSitzmann,NCI-NIH

Carl BattCornell Univ.

Hens BorkentRadboud Univ.,Netherlands

Thanks for the greatcollaboration!

Paul Pillot,Académie de Nice

Amanda Leone,St. Olaf

RobertLancashire,U. West Indies

Hai NguyenCarleton ’13

Thanks for the greatcollaboration!

Erik WyattSt. Olaf ‘14

Craig MartinU. Mass. Amherst

Adam WilliamsonU. Mass.

Web-base molecular visualization

molecular orbital viewervirtual model kitmolecular playgroundnew ideas for teaching spectroscopy

Web-base molecular visualization

molecular orbitals

Molecular Orbitals (Including Linear Combinations)

http://chemapps.stolaf.edu/jmol/mo

Molecular Orbitals (Including Linear Combinations)

http://chemapps.stolaf.edu/jmol/mo

Molecular Orbitals (Including Linear Combinations)

http://chemapps.stolaf.edu/jmol/mo

Molecular Orbitals (Including Linear Combinations)

http://chemapps.stolaf.edu/jmol/mo

CheMagic O=Chem VMK

http://chemagic.com/vmk

CheMagic O=Chem VMKMolecular Editor

http://chemagic.com/vmk

CheMagic O=Chem VMKStructure Drawing

JME applet by Peter Ertl, Novartis, Basel, Switzerland

http://chemagic.com/vmk

Infinite Model Collection

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

Dynamic Models

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

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

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

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

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

http://www.molecularplayground.org/

Google: bobjmol molecular playground

Google: bobjmol molecular playground

Structure/Spectrum Correlation

http://chemapps.stolaf.edu/jmol/jspecview/jsvtest.htm

http://chemapps.stolaf.edu/nmr/viewspec2

Spectral Analysis Using JSpecView